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

Systemtic Name: 3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H37BrN2O3S MolecularWeight: 549.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCCCCC)Br

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCCCCC)Br

InChI

InChI=1S/C27H37BrN2O3S/c1-3-5-7-9-11-17-32-23-14-12-13-22(20-23)29-27(34)30-26(31)21-15-16-25(24(28)19-21)33-18-10-8-6-4-2/h12-16,19-20H,3-11,17-18H2,1-2H3,(H2,29,30,31,34)