(E)-N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(2-sec-butylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-3-14(2)17-9-4-5-10-18(17)21-20(27)22-19(24)12-11-15-7-6-8-16(13-15)23(25)26/h4-14H,3H2,1-2H3,(H2,21,22,24,27)/b12-11+