(E)-3-(3-nitrophenyl)-N-[(4-phenylazanylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(4-phenylazanylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-anilinophenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(4-anilinoanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-anilinophenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-anilinophenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c27-21(14-9-16-5-4-8-20(15-16)26(28)29)25-22(30)24-19-12-10-18(11-13-19)23-17-6-2-1-3-7-17/h1-15,23H,(H2,24,25,27,30)/b14-9+