(E)-N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c28-21(13-8-17-6-5-7-20(16-17)27(30)31)25-23(32)24-19-11-9-18(10-12-19)22(29)26-14-3-1-2-4-15-26/h5-13,16H,1-4,14-15H2,(H2,24,25,28,32)/b13-8+