N-[(Z)-3-[[4-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]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-(1,3-benzoxazol-2-yl)phenyl]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-(1,3-benzoxazol-2-yl)anilino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[(Z)-3-[4-[[2-[4-(1,3-benzoxazol-2-yl)anilino]-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-(1,3-benzoxazol-2-yl)anilino]-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-[[4-[[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide Formula: C42H31N5O4S MolecularWeight: 701.79164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)SC5=CC=C(C=C5)NC(=O)C(=CC6=CN=CC=C6)NC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)SC5=CC=C(C=C5)NC(=O)/C(=C/C6=CN=CC=C6)/NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C42H31N5O4S/c48-39(30-13-5-2-6-14-30)46-36(26-28-10-9-25-43-27-28)40(49)44-33-21-23-34(24-22-33)52-38(29-11-3-1-4-12-29)41(50)45-32-19-17-31(18-20-32)42-47-35-15-7-8-16-37(35)51-42/h1-27,38H,(H,44,49)(H,45,50)(H,46,48)/b36-26-