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

Systemtic Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(carbamothioylamino)methyl]-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-cyclohexyl-6-methyl-2-(thioureidomethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)C)CNC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)C)CNC(=S)N

InChI

InChI=1S/C18H26N4O2S/c1-3-24-17(23)16-14(10-21-18(20)25)22-11(2)13(9-19)15(16)12-7-5-4-6-8-12/h12,15,22H,3-8,10H2,1-2H3,(H3,20,21,25)