propan-2-yl 6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OC(C)C)C

InChI

InChI=1S/C22H30ClN3O3S/c1-7-26-14(4)17(19(27)29-13(2)3)18(25-21(26)30)15-8-10-16(11-9-15)24-20(28)22(5,6)12-23/h8-11,13,18H,7,12H2,1-6H3,(H,24,28)(H,25,30)