N-[(Z)-3-[[4-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-1-(3-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-[[4-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-1-(3-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-[[4-[2-(2,5-dimethoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]-2-(3-methoxyphenyl)vinyl]benzamide CAS Name: N-[(Z)-3-[4-[[2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl]thio]anilino]-1-(3-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-[4-[2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(3-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-[[4-[[2-(2,5-dimethoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-2-(3-methoxyphenyl)vinyl]benzamide Formula: C39H35N3O6S MolecularWeight: 673.7767

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C(=CC4=CC(=CC=C4)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CC(=CC=C4)OC)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H35N3O6S/c1-46-30-16-10-11-26(23-30)24-34(42-37(43)28-14-8-5-9-15-28)38(44)40-29-17-20-32(21-18-29)49-36(27-12-6-4-7-13-27)39(45)41-33-25-31(47-2)19-22-35(33)48-3/h4-25,36H,1-3H3,(H,40,44)(H,41,45)(H,42,43)/b34-24-