N-(phenylmethyl)-2-pyrimidin-2-ylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(phenylmethyl)-2-pyrimidin-2-ylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-benzyl-2-pyrimidin-2-ylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(phenylmethyl)-2-(2-pyrimidinylthio)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-benzyl-2-pyrimidin-2-ylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-2-(2-pyrimidylthio)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C20H20N4OS2/c25-18(14-26-19-21-11-6-12-22-19)24(13-15-7-2-1-3-8-15)20-23-16-9-4-5-10-17(16)27-20/h1-3,6-8,11-12H,4-5,9-10,13-14H2