3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-butoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-butoxyphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC)Br

InChI

InChI=1S/C24H31BrN2O3S/c1-3-5-7-8-15-30-22-13-12-18(16-21(22)25)23(28)27-24(31)26-19-10-9-11-20(17-19)29-14-6-4-2/h9-13,16-17H,3-8,14-15H2,1-2H3,(H2,26,27,28,31)