N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-keto-butyl]thiophene-3-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCNC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCNC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O2S2/c24-18(8-3-10-21-19(25)14-9-12-26-13-14)23-11-4-6-16(23)20-22-15-5-1-2-7-17(15)27-20/h1-2,5,7,9,12-13,16H,3-4,6,8,10-11H2,(H,21,25)/t16-/m0/s1