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

Systemtic Name: (E)-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(diethylamino)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-3-23(4-2)17-11-9-16(10-12-17)21-20(28)22-19(25)13-8-15-6-5-7-18(14-15)24(26)27/h5-14H,3-4H2,1-2H3,(H2,21,22,25,28)/b13-8+