diethyl 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethyl-benzene-1,3-dicarboxylate

Systemtic Name: diethyl 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethyl-benzene-1,3-dicarboxylate Openeye Name: diethyl 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethyl-benzene-1,3-dicarboxylate CAS Name: 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethylbenzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethylbenzene-1,3-dicarboxylate Traditional Name: 5-(1,4-dihydropyridin-2-yl)-4,6-dimethyl-2-thioureido-benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C)C2=CCC=CN2)C)C(=O)OCC)NC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C)C2=CCC=CN2)C)C(=O)OCC)NC(=S)N

InChI

InChI=1S/C20H25N3O4S/c1-5-26-18(24)15-11(3)14(13-9-7-8-10-22-13)12(4)16(19(25)27-6-2)17(15)23-20(21)28/h8-10,22H,5-7H2,1-4H3,(H3,21,23,28)