4-(4-chloranylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(2-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(2-nitrophenyl)thiocarbamoyl]butyramide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c18-12-7-9-13(10-8-12)25-11-3-6-16(22)20-17(26)19-14-4-1-2-5-15(14)21(23)24/h1-2,4-5,7-10H,3,6,11H2,(H2,19,20,22,26)