N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-(phenylmethyl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-(phenylmethyl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-isopropylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(phenylmethyl)-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-2-(isopropylthio)pyrimidine-4-carboxamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C19H22ClN3O3S2/c1-13(2)27-19-21-10-16(20)17(22-19)18(24)23(11-14-6-4-3-5-7-14)15-8-9-28(25,26)12-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3/t15-/m0/s1