N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2-ethoxyanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-(o-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=C2OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC

InChI

InChI=1S/C23H30N2O3S/c1-3-5-6-7-10-17-28-19-15-13-18(14-16-19)22(26)25-23(29)24-20-11-8-9-12-21(20)27-4-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H2,24,25,26,29)