N-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]carbothioyl-4-methoxy-benzamide

Systemtic Name: N-[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]carbothioyl-4-methoxy-benzamide Openeye Name: N-[3-(2-cyanoethyl)-2-methyl-indolizine-1-carbothioyl]-4-methoxy-benzamide CAS Name: N-[[3-(2-cyanoethyl)-2-methyl-1-indolizinyl]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[3-(2-cyanoethyl)-2-methylindolizine-1-carbothioyl]-4-methoxybenzamide Traditional Name: N-[3-(2-cyanoethyl)-2-methyl-indolizine-1-carbothioyl]-4-methoxy-benzamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=S)NC(=O)C3=CC=C(C=C3)OC)CCC#N

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=S)NC(=O)C3=CC=C(C=C3)OC)CCC#N

InChI

InChI=1S/C21H19N3O2S/c1-14-17(7-5-12-22)24-13-4-3-6-18(24)19(14)21(27)23-20(25)15-8-10-16(26-2)11-9-15/h3-4,6,8-11,13H,5,7H2,1-2H3,(H,23,25,27)