N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine

Systemtic Name: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine Openeye Name: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine CAS Name: N-(4-chlorophenyl)-5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide; piperidine IUPAC Name: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine Traditional Name: N-(4-chlorophenyl)-5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide; piperidine Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)Cl.C1CCNCC1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)Cl.C1CCNCC1

InChI

InChI=1S/C21H18ClN3O2S.C5H11N/c1-12-18(20(26)25-15-7-5-14(22)6-8-15)19(17(11-23)21(28)24-12)13-3-9-16(27-2)10-4-13;1-2-4-6-5-3-1/h3-10,19,24,28H,1-2H3,(H,25,26);6H,1-5H2