N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C17H18N6OS2 MolecularWeight: 386.49442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6OS2/c1-25-17-21-13-4-3-12(11-14(13)26-17)20-16(24)23-9-7-22(8-10-23)15-18-5-2-6-19-15/h2-6,11H,7-10H2,1H3,(H,20,24)