1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-4-(2-thienyl)butan-1-one Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCC2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCC2=CC=CS2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2OS2/c23-19(11-3-7-16-8-5-13-24-16)22-12-4-6-15(14-22)20-21-17-9-1-2-10-18(17)25-20/h1-2,5,8-10,13,15H,3-4,6-7,11-12,14H2/t15-/m0/s1