4-(4-chloranylphenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(3-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(3-nitrophenyl)thiocarbamoyl]butyramide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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