1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]-2-(cyclohexylamino)ethanone

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]-2-(cyclohexylamino)ethanone Openeye Name: 1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-(cyclohexylamino)ethanone CAS Name: 1-[(2S)-2-[1,3-benzothiazol-2-yl(oxo)methyl]-1-pyrrolidinyl]-2-(cyclohexylamino)ethanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-(cyclohexylamino)ethanone Traditional Name: 1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidino]-2-(cyclohexylamino)ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCC[C@H]2C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N3O2S/c24-18(13-21-14-7-2-1-3-8-14)23-12-6-10-16(23)19(25)20-22-15-9-4-5-11-17(15)26-20/h4-5,9,11,14,16,21H,1-3,6-8,10,12-13H2/t16-/m0/s1