5-[(3,3-dimethylbutan-2-ylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 5-[(3,3-dimethylbutan-2-ylamino)methyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-phenyl]methylsulfanyl]thiazol-2-yl]-5-[(1,2,2-trimethylpropylamino)methyl]-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4,5-dimethylphenyl]methylthio]-2-thiazolyl]-5-[(3,3-dimethylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-[(3,3-dimethylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-benzyl]thio]thiazol-2-yl]-5-[(1,2,2-trimethylpropylamino)methyl]-1H-pyrrole-2-carboxamide Formula: C31H42N6O3S2 MolecularWeight: 610.83358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(N3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CC=C(N3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C31H42N6O3S2/c1-19-14-23(15-25(20(19)2)29(40)37-12-10-36(11-13-37)22(4)38)18-41-27-17-33-30(42-27)35-28(39)26-9-8-24(34-26)16-32-21(3)31(5,6)7/h8-9,14-15,17,21,32,34H,10-13,16,18H2,1-7H3,(H,33,35,39)