N-(diphenylcarbamothioyl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(diphenylcarbamothioyl)-2-methyl-3-nitro-benzamide Openeye Name: N-(diphenylcarbamothioyl)-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[(N-phenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-(diphenylcarbamothioyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(diphenylthiocarbamoyl)-2-methyl-3-nitro-benzamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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