N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O2S/c1-2-3-4-5-9-19-30-23-15-13-22(14-16-23)24(29)27-25(31)28(18-10-17-26)20-21-11-7-6-8-12-21/h6-8,11-16H,2-5,9-10,18-20H2,1H3,(H,27,29,31)