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

Systemtic Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclobutyl-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclobutyl-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclobutyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclobutyl-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-cyclobutyl-6-methyl-2-(thioureidomethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCC2)C#N)C)CNC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCC2)C#N)C)CNC(=S)N

InChI

InChI=1S/C16H22N4O2S/c1-3-22-15(21)14-12(8-19-16(18)23)20-9(2)11(7-17)13(14)10-5-4-6-10/h10,13,20H,3-6,8H2,1-2H3,(H3,18,19,23)