N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O4S/c23-17-9-10-19(20(14-17)26(28)29)24-22(31)25-21(27)16-7-4-8-18(13-16)30-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H2,24,25,27,31)