ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclopentyl-6-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclopentyl-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclopentyl-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclopentyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclopentyl-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-cyclopentyl-6-methyl-2-(thioureidomethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCC2)C#N)C)CNC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCC2)C#N)C)CNC(=S)N

InChI

InChI=1S/C17H24N4O2S/c1-3-23-16(22)15-13(9-20-17(19)24)21-10(2)12(8-18)14(15)11-6-4-5-7-11/h11,14,21H,3-7,9H2,1-2H3,(H3,19,20,24)