5-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(2-butoxyphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(2-butoxyanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(2-butoxyphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(2-butoxyphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCCC

InChI

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