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

Systemtic Name: dimethyl 2-(carbamothioylamino)-5-(1,4-dihydropyridin-2-yl)-4,6-dimethyl-benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(=O)OC)NC(=S)N)C(=O)OC)C)C2=CCC=CN2

Isomeric SMILES

CC1=C(C(=C(C(=C1C(=O)OC)NC(=S)N)C(=O)OC)C)C2=CCC=CN2

InChI

InChI=1S/C18H21N3O4S/c1-9-12(11-7-5-6-8-20-11)10(2)14(17(23)25-4)15(21-18(19)26)13(9)16(22)24-3/h6-8,20H,5H2,1-4H3,(H3,19,21,26)