N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C26H22N4O4S2 MolecularWeight: 518.60728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S2/c31-24(20-5-1-2-6-21(20)25(32)29-13-3-4-14-29)27-18-9-12-22-23(15-18)36-26(28-22)35-16-17-7-10-19(11-8-17)30(33)34/h1-2,5-12,15H,3-4,13-14,16H2,(H,27,31)