N-[(4-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(4-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-nitrophenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c26-21(24-22(31)23-17-9-11-18(12-10-17)25(27)28)16-5-4-8-20(15-16)30-14-13-29-19-6-2-1-3-7-19/h1-12,15H,13-14H2,(H2,23,24,26,31)