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

Systemtic Name: ethyl 3,4-dimethyl-6-[3-[(phenylmethyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H26N4O3S/c1-4-30-21(28)19-15(2)27(3)23(31)26-20(19)17-11-8-12-18(13-17)25-22(29)24-14-16-9-6-5-7-10-16/h5-13,20H,4,14H2,1-3H3,(H,26,31)(H2,24,25,29)