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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H24N4O3S/c1-4-29-20(27)18-14(2)26(3)22(30)25-19(18)15-10-12-17(13-11-15)24-21(28)23-16-8-6-5-7-9-16/h5-13,19H,4H2,1-3H3,(H,25,30)(H2,23,24,28)