diethyl 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-thioureidophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)NC(=S)N)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)NC(=S)N)C(=O)OCC)C)C

InChI

InChI=1S/C20H25N3O4S/c1-5-26-18(24)15-11(3)22-12(4)16(19(25)27-6-2)17(15)13-8-7-9-14(10-13)23-20(21)28/h7-10,17,22H,5-6H2,1-4H3,(H3,21,23,28)