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

Systemtic Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-piperidin-1-yl-benzamide Openeye Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methyleneamino]-5-(1-piperidyl)benzamide CAS Name: 2-[[[3-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(1-piperidinyl)benzamide IUPAC Name: 2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-piperidin-1-ylbenzamide Traditional Name: 2-[[3-[(2-hydroxyethylthio)methyl]benzoyl]amino]-N-[(E)-p-anisylideneamino]-5-piperidino-benzamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)N3CCCCC3)NC(=O)C4=CC(=CC=C4)CSCCO

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)N3CCCCC3)NC(=O)C4=CC(=CC=C4)CSCCO

InChI

InChI=1S/C30H34N4O4S/c1-38-26-11-8-22(9-12-26)20-31-33-30(37)27-19-25(34-14-3-2-4-15-34)10-13-28(27)32-29(36)24-7-5-6-23(18-24)21-39-17-16-35/h5-13,18-20,35H,2-4,14-17,21H2,1H3,(H,32,36)(H,33,37)/b31-20+