N-(heptylcarbamothioyl)-4-propoxy-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-propoxy-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-propoxy-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-propoxybenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-propoxy-benzamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCC

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCC

InChI

InChI=1S/C18H28N2O2S/c1-3-5-6-7-8-13-19-18(23)20-17(21)15-9-11-16(12-10-15)22-14-4-2/h9-12H,3-8,13-14H2,1-2H3,(H2,19,20,21,23)