N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-2-nitro-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c24-19(17-11-4-5-12-18(17)23(25)26)21-20(27)22(14-16-9-6-10-16)13-15-7-2-1-3-8-15/h1-5,7-8,11-12,16H,6,9-10,13-14H2,(H,21,24,27)