3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-pyrrolidin-1-ylbutyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-pyrrolidin-1-ylbutyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyrrolidin-1-ylbutyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(1-pyrrolidinyl)butyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyrrolidin-1-ylbutyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(2-pyrrolidinobutyl)propionamide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCCC3

InChI

InChI=1S/C18H26N4O3S/c1-2-14(22-11-5-6-12-22)13-20-17(23)9-10-19-18-15-7-3-4-8-16(15)26(24,25)21-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,21)(H,20,23)