1-[2-[2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[2-[2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[2-[2-(1,3-benzothiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[2-[[2-[1,3-benzothiazol-2-yl(oxo)methyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[2-[2-(1,3-benzothiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[2-[2-(1,3-benzothiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidino]-4-phenyl-butan-1-one Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H29N3O3S/c31-24(16-6-11-19-9-2-1-3-10-19)29-17-8-14-22(29)27(33)30-18-7-13-21(30)25(32)26-28-20-12-4-5-15-23(20)34-26/h1-5,9-10,12,15,21-22H,6-8,11,13-14,16-18H2