2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-amino]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-amino]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-methyl-amino]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-methylamino]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methylamino]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-methyl-amino]-1-pyrrolidino-ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCC1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC(=O)N1CCCC1)CC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O2S/c1-23(14-19(26)24-10-4-5-11-24)15-20(27)25-12-6-7-16(13-25)21-22-17-8-2-3-9-18(17)28-21/h2-3,8-9,16H,4-7,10-15H2,1H3/t16-/m0/s1