1-(1,3-benzoxazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isonipecotamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O2S2/c1-28-21-24-16-7-6-14(12-18(16)29-21)22-19(26)13-8-10-25(11-9-13)20-23-15-4-2-3-5-17(15)27-20/h2-7,12-13H,8-11H2,1H3,(H,22,26)