N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C19H18IN3O2S MolecularWeight: 479.33459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2)I

InChI

InChI=1S/C19H18IN3O2S/c1-25-17-9-8-15(12-16(17)20)18(24)22-19(26)23(11-5-10-21)13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,11,13H2,1H3,(H,22,24,26)