methyl 3,4-dimethyl-6-[4-[(phenylmethyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-[4-[(phenylmethyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[4-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O3S/c1-14-18(20(27)29-3)19(25-22(30)26(14)2)16-9-11-17(12-10-16)24-21(28)23-13-15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,25,30)(H2,23,24,28)