N-(diphenylcarbamothioyl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(diphenylcarbamothioyl)-3-methyl-4-nitro-benzamide Openeye Name: N-(diphenylcarbamothioyl)-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[(N-phenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-(diphenylcarbamothioyl)-3-methyl-4-nitrobenzamide Traditional Name: N-(diphenylthiocarbamoyl)-3-methyl-4-nitro-benzamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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