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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)pentyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-[2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)pentyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)NC

Isomeric SMILES

CCCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)NC

InChI

InChI=1S/C28H34N4O3S/c1-3-4-13-21(25(33)27-31-20-14-8-9-16-24(20)36-27)30-26(34)23-15-10-17-32(23)28(35)22(29-2)18-19-11-6-5-7-12-19/h5-9,11-12,14,16,21-23,29H,3-4,10,13,15,17-18H2,1-2H3,(H,30,34)