N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H16N4O5S MolecularWeight: 460.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])O2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])O2

InChI

InChI=1S/C23H16N4O5S/c28-19-13-15(9-10-17(19)22-25-18-6-1-2-7-20(18)32-22)24-23(33)26-21(29)11-8-14-4-3-5-16(12-14)27(30)31/h1-13,25H,(H2,24,26,29,33)