2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S2/c1-12-4-2-7-16-19(12)26-21(30-16)25-18(28)10-15-9-17(27)24-20(23-15)29-11-13-5-3-6-14(22)8-13/h2-9H,10-11H2,1H3,(H,23,24,27)(H,25,26,28)