N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O4S/c1-15-8-13-20(26(28)29)21(16(15)2)24-23(31)25-22(27)18-9-11-19(12-10-18)30-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,24,25,27,31)