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

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3S/c1-3-5-7-9-11-20-32-25-14-12-13-23(21-25)28-27(33)29-26(30)22-15-17-24(18-16-22)31-19-10-8-6-4-2/h12-18,21H,3-11,19-20H2,1-2H3,(H2,28,29,30,33)