N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-benzyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-1-benzyl-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H26N4O2S2 MolecularWeight: 490.64024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)[C@@H](CC4=CC=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H26N4O2S2/c31-25(23-11-6-16-33-23)28-21(17-19-7-2-1-3-8-19)26(32)30-14-12-29(13-15-30)18-24-27-20-9-4-5-10-22(20)34-24/h1-11,16,21H,12-15,17-18H2,(H,28,31)/t21-/m1/s1