N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-6-piperazin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-6-piperazin-1-yl-pyridine-3-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-6-piperazin-1-yl-pyridine-3-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-6-(1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-6-piperazino-nicotinamide Formula: C27H31N7O3S2 MolecularWeight: 565.71014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CN=C(C=C4)N5CCNCC5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CN=C(C=C4)N5CCNCC5

InChI

InChI=1S/C27H31N7O3S2/c1-19(35)32-11-13-34(14-12-32)26(37)21-4-2-3-20(15-21)18-38-24-17-30-27(39-24)31-25(36)22-5-6-23(29-16-22)33-9-7-28-8-10-33/h2-6,15-17,28H,7-14,18H2,1H3,(H,30,31,36)