2-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[2-(1-piperidyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(2-piperidinoethyl)thiazole-4-carboxamide Formula: C27H28Cl2N6OS2 MolecularWeight: 587.58682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H28Cl2N6OS2/c28-21-10-9-20(16-22(21)29)35-24(15-19-7-3-1-4-8-19)32-33-27(35)38-18-25-31-23(17-37-25)26(36)30-11-14-34-12-5-2-6-13-34/h1,3-4,7-10,16-17H,2,5-6,11-15,18H2,(H,30,36)