N-[(3-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(3-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-ethoxyanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-(m-phenetylthiocarbamoyl)benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC

InChI

InChI=1S/C23H30N2O3S/c1-3-5-6-7-8-16-28-20-14-12-18(13-15-20)22(26)25-23(29)24-19-10-9-11-21(17-19)27-4-2/h9-15,17H,3-8,16H2,1-2H3,(H2,24,25,26,29)