N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-1-benzyl-2-oxo-ethyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-3-phenylpropan-2-yl]-1-[2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxo-3-phenylpropan-2-yl]-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-1-benzyl-2-keto-ethyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C31H32N4O3S/c1-32-25(20-22-13-6-3-7-14-22)31(38)35-18-10-16-26(35)29(37)33-24(19-21-11-4-2-5-12-21)28(36)30-34-23-15-8-9-17-27(23)39-30/h2-9,11-15,17,24-26,32H,10,16,18-20H2,1H3,(H,33,37)