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

Systemtic Name: 4-butoxy-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)21-18(27)20-15-9-6-13(19)11-16(15)22(24)25/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)