propan-2-yl 3,4-dimethyl-6-[4-(octanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[4-(octanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-6-[4-(octanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-(1-oxooctylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-6-[4-(octanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(caprylylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

InChI

InChI=1S/C24H35N3O3S/c1-6-7-8-9-10-11-20(28)25-19-14-12-18(13-15-19)22-21(23(29)30-16(2)3)17(4)27(5)24(31)26-22/h12-16,22H,6-11H2,1-5H3,(H,25,28)(H,26,31)