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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

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