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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S/c1-12(2)9-10-27-17-6-4-3-5-14(17)18(24)22-19(28)21-15-8-7-13(20)11-16(15)23(25)26/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,24,28)