N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C21H26N6OS2 MolecularWeight: 442.60074

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C21H26N6OS2/c1-25(13-18-22-16-7-3-4-8-17(16)30-18)19(28)14-29-21-24-23-20(27(21)15-9-10-15)26-11-5-2-6-12-26/h3-4,7-8,15H,2,5-6,9-14H2,1H3