3-bromanyl-N-[(3-hexoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-hexoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(3-hexoxyphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C24H31BrN2O3S/c1-4-5-6-7-13-29-20-10-8-9-19(15-20)26-24(31)27-23(28)18-11-12-22(21(25)14-18)30-16-17(2)3/h8-12,14-15,17H,4-7,13,16H2,1-3H3,(H2,26,27,28,31)