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

Systemtic Name: N-[bis(phenylmethyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-(dibenzylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[[bis(phenylmethyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(dibenzylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(dibenzylthiocarbamoyl)-3-nitro-benzamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c26-21(19-12-7-13-20(14-19)25(27)28)23-22(29)24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,23,26,29)