N-[(Z)-3-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-[[4-[2-(4-butoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[(Z)-3-[4-[[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]thio]anilino]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-[[4-[[2-(4-butoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide Formula: C39H36N4O4S MolecularWeight: 656.79254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C(=CC4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H36N4O4S/c1-2-3-25-47-33-20-16-31(17-21-33)42-39(46)36(29-12-6-4-7-13-29)48-34-22-18-32(19-23-34)41-38(45)35(26-28-11-10-24-40-27-28)43-37(44)30-14-8-5-9-15-30/h4-24,26-27,36H,2-3,25H2,1H3,(H,41,45)(H,42,46)(H,43,44)/b35-26-