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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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