2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[(4-keto-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3)SC4=C2CCCC4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3)SC4=C2CCCC4

InChI

InChI=1S/C21H22N4O3S2/c1-25-19(27)17-14-9-5-6-10-15(14)30-18(17)24-21(25)29-12-16(26)23-20(28)22-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H2,22,23,26,28)