2-methylpropyl (6S)-6-[4-(hexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (6S)-6-[4-(hexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6S)-6-[4-(hexanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[4-(1-oxohexylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6S)-6-[4-(hexanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[4-(caproylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C23H33N3O3S/c1-6-7-8-9-19(27)24-18-12-10-17(11-13-18)21-20(22(28)29-14-15(2)3)16(4)26(5)23(30)25-21/h10-13,15,21H,6-9,14H2,1-5H3,(H,24,27)(H,25,30)/t21-/m0/s1