N-[(4-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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