3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-4-pyrrolidino-phenyl)propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c1-15-14-16(25-12-4-5-13-25)8-9-18(15)23-20(26)10-11-22-21-17-6-2-3-7-19(17)29(27,28)24-21/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,24)(H,23,26)