N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S/c1-11(2)10-27-14-6-4-5-13(8-14)18(24)22-19(28)21-16-9-15(20)17(23(25)26)7-12(16)3/h4-9,11H,10H2,1-3H3,(H2,21,22,24,28)