6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(2-thiophen-3-ylpyrrolidin-1-yl)hexan-1-one

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(2-thiophen-3-ylpyrrolidin-1-yl)hexan-1-one Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[2-(3-thienyl)pyrrolidin-1-yl]hexan-1-one CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[2-(3-thiophenyl)-1-pyrrolidinyl]-1-hexanone IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(2-thiophen-3-ylpyrrolidin-1-yl)hexan-1-one Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-[2-(3-thienyl)pyrrolidino]hexan-1-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C21H25N3O3S2/c25-20(24-13-6-8-18(24)16-11-14-28-15-16)10-2-1-5-12-22-21-17-7-3-4-9-19(17)29(26,27)23-21/h3-4,7,9,11,14-15,18H,1-2,5-6,8,10,12-13H2,(H,22,23)