2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide

Systemtic Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide Openeye Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methyleneamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide CAS Name: 2-[[[3-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-[4-(1-piperazinyl)-1-piperazinyl]benzamide IUPAC Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-piperazin-1-ylpiperazin-1-yl)benzamide Traditional Name: 2-[[3-[(2-hydroxyethylthio)methyl]benzoyl]amino]-N-[(E)-p-anisylideneamino]-5-(4-piperazinopiperazino)benzamide Formula: C33H41N7O4S MolecularWeight: 631.78814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)N3CCN(CC3)N4CCNCC4)NC(=O)C5=CC(=CC=C5)CSCCO

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)N3CCN(CC3)N4CCNCC4)NC(=O)C5=CC(=CC=C5)CSCCO

InChI

InChI=1S/C33H41N7O4S/c1-44-29-8-5-25(6-9-29)23-35-37-33(43)30-22-28(38-15-17-40(18-16-38)39-13-11-34-12-14-39)7-10-31(30)36-32(42)27-4-2-3-26(21-27)24-45-20-19-41/h2-10,21-23,34,41H,11-20,24H2,1H3,(H,36,42)(H,37,43)/b35-23+