1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(1,3-benzothiazol-2-ylthio)-1-butanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(1,3-benzothiazol-2-ylthio)butan-1-one Formula: C22H21N3OS3 MolecularWeight: 439.61664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3OS3/c26-20(12-6-14-27-22-24-16-8-2-4-11-19(16)29-22)25-13-5-9-17(25)21-23-15-7-1-3-10-18(15)28-21/h1-4,7-8,10-11,17H,5-6,9,12-14H2