N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-isoamoxy-benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O2S/c1-18(2)12-15-28-21-11-6-10-20(16-21)22(27)25-23(29)26(14-7-13-24)17-19-8-4-3-5-9-19/h3-6,8-11,16,18H,7,12,14-15,17H2,1-2H3,(H,25,27,29)