3-bromanyl-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-[(3-sec-butoxyphenyl)thiocarbamoyl]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)OC(C)CC)Br

Isomeric SMILES

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

InChI

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