3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-4-pyrrolidino-benzamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N4O2S2/c27-24(31)19-11-12-22(30-13-3-4-14-30)21(15-19)28-25(32)18-9-7-17(8-10-18)16-33-26-29-20-5-1-2-6-23(20)34-26/h1-2,5-12,15H,3-4,13-14,16H2,(H2,27,31)(H,28,32)