N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H28N6OS2 MolecularWeight: 492.65942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C25H28N6OS2/c1-18-10-11-20-21(14-18)34-24(26-20)27-23(32)17-33-25-29-28-22(16-30-12-6-3-7-13-30)31(25)15-19-8-4-2-5-9-19/h2,4-5,8-11,14H,3,6-7,12-13,15-17H2,1H3,(H,26,27,32)