N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: 3-(4-chloro-3-nitro-phenyl)-N-[(2-sec-butylphenyl)carbamothioyl]prop-2-enamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: 3-(4-chloro-3-nitro-phenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]acrylamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-3-13(2)15-6-4-5-7-17(15)22-20(28)23-19(25)11-9-14-8-10-16(21)18(12-14)24(26)27/h4-13H,3H2,1-2H3,(H2,22,23,25,28)