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

Systemtic Name: 3-butoxy-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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