N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]-2-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=C2C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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