N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3S/c1-14-7-12-18(24(26)27)13-19(14)22-21(28)23-20(25)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,22,23,25,28)