N-[(3-nitrophenyl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c26-21(24-22(30)23-18-9-5-10-19(15-18)25(27)28)17-8-4-11-20(14-17)29-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H2,23,24,26,30)