S-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-1,4-dihydropyridin-2-yl]] N-(1,3-benzodioxol-5-yl)carbamothioate

Systemtic Name: S-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-1,4-dihydropyridin-2-yl]] N-(1,3-benzodioxol-5-yl)carbamothioate Openeye Name: S-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-phenyl-1,4-dihydropyridin-2-yl]] N-(1,3-benzodioxol-5-yl)carbamothioate CAS Name: N-(1,3-benzodioxol-5-yl)carbamothioic acid S-[[3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-phenyl-1,4-dihydropyridin-2-yl]] ester IUPAC Name: S-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-1,4-dihydropyridin-2-yl]] N-(1,3-benzodioxol-5-yl)carbamothioate Traditional Name: N-(1,3-benzodioxol-5-yl)thiocarbamic acid S-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-phenyl-1,4-dihydropyridin-2-yl]] ester Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SC(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SC(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C29H24N4O4S/c1-17-8-6-7-11-22(17)33-27(34)25-18(2)31-28(21(15-30)26(25)19-9-4-3-5-10-19)38-29(35)32-20-12-13-23-24(14-20)37-16-36-23/h3-14,26,31H,16H2,1-2H3,(H,32,35)(H,33,34)