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

Systemtic Name: 3-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H36BrN3O3S MolecularWeight: 562.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrN3O3S/c1-4-7-8-9-17-34-24-14-13-20(19-23(24)28)25(32)30-27(35)29-22-12-10-11-21(18-22)26(33)31(15-5-2)16-6-3/h10-14,18-19H,4-9,15-17H2,1-3H3,(H2,29,30,32,35)