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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-11(2)10-26-14-5-3-4-12(8-14)17(23)21-18(27)20-15-7-6-13(19)9-16(15)22(24)25/h3-9,11H,10H2,1-2H3,(H2,20,21,23,27)