4-butoxy-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-3-4-9-27-14-7-5-13(6-8-14)18(24)22-19(28)21-16-11-15(20)17(23(25)26)10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,22,24,28)