N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-5-methyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-5-[(3-methylbutan-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-[(3-methylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-phenyl]methylsulfanyl]thiazol-2-yl]-5-[(1,2-dimethylpropylamino)methyl]-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-5-methylphenyl]methylthio]-2-thiazolyl]-5-[(3-methylbutan-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-[(3-methylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-5-methyl-benzyl]thio]thiazol-2-yl]-5-[(1,2-dimethylpropylamino)methyl]-1H-pyrrole-2-carboxamide Formula: C29H38N6O3S2 MolecularWeight: 582.78042

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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)C(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)C(C)C

InChI

InChI=1S/C29H38N6O3S2/c1-18(2)20(4)30-15-24-6-7-25(32-24)27(37)33-29-31-16-26(40-29)39-17-22-12-19(3)13-23(14-22)28(38)35-10-8-34(9-11-35)21(5)36/h6-7,12-14,16,18,20,30,32H,8-11,15,17H2,1-5H3,(H,31,33,37)