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

Systemtic Name: dimethyl 4-[3-(carbamothioylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=S)N)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=S)N)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-9-13(16(22)24-3)15(14(10(2)20-9)17(23)25-4)11-6-5-7-12(8-11)21-18(19)26/h5-8,15,20H,1-4H3,(H3,19,21,26)