O3-ethyl O5-methyl 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-cyclohexyl-2-methyl-6-(thioureidomethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-4-26-18(24)16-13(10-21-19(20)27)22-11(2)14(17(23)25-3)15(16)12-8-6-5-7-9-12/h12,15,22H,4-10H2,1-3H3,(H3,20,21,27)