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

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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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)OC)Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl)Br

InChI

InChI=1S/C20H22BrClN2O3S/c1-12(2)8-9-27-17-6-4-13(10-15(17)21)19(25)24-20(28)23-14-5-7-18(26-3)16(22)11-14/h4-7,10-12H,8-9H2,1-3H3,(H2,23,24,25,28)