N-[bis(phenylmethyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[bis(phenylmethyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-(dibenzylcarbamothioyl)-2-methyl-3-nitro-benzamide CAS Name: N-[[bis(phenylmethyl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(dibenzylcarbamothioyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(dibenzylthiocarbamoyl)-2-methyl-3-nitro-benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-17-20(13-8-14-21(17)26(28)29)22(27)24-23(30)25(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,24,27,30)