N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S/c1-25(2,3)18-12-10-17(11-13-18)23(30)26-15-14-22(29)28-16-6-8-20(28)24-27-19-7-4-5-9-21(19)31-24/h4-5,7,9-13,20H,6,8,14-16H2,1-3H3,(H,26,30)/t20-/m0/s1