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

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C19H19BrClN3O4S MolecularWeight: 500.79386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O4S/c1-11(2)7-8-28-17-6-3-12(9-14(17)20)18(25)23-19(29)22-13-4-5-15(21)16(10-13)24(26)27/h3-6,9-11H,7-8H2,1-2H3,(H2,22,23,25,29)