2-(1,3-benzothiazol-2-ylamino)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)N4CCCC4=O

InChI

InChI=1S/C21H22N4O2S/c1-13-12-15(9-10-17(13)25-11-5-8-19(25)26)23-20(27)14(2)22-21-24-16-6-3-4-7-18(16)28-21/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3,(H,22,24)(H,23,27)