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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-5-methyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-phenyl]methylsulfanyl]thiazol-2-yl]-5-[(1,3-dimethylbutylamino)methyl]-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-5-methylphenyl]methylthio]-2-thiazolyl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-benzyl]thio]thiazol-2-yl]-5-[(1,3-dimethylbutylamino)methyl]-1H-pyrrole-2-carboxamide Formula: C30H40N6O3S2 MolecularWeight: 596.807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C)CSC3=CN=C(S3)NC(=O)C4=CC=C(N4)CNC(C)CC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C)CSC3=CN=C(S3)NC(=O)C4=CC=C(N4)CNC(C)CC(C)C

InChI

InChI=1S/C30H40N6O3S2/c1-19(2)12-21(4)31-16-25-6-7-26(33-25)28(38)34-30-32-17-27(41-30)40-18-23-13-20(3)14-24(15-23)29(39)36-10-8-35(9-11-36)22(5)37/h6-7,13-15,17,19,21,31,33H,8-12,16,18H2,1-5H3,(H,32,34,38)