N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-isopropyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-isopropyl-5-keto-pyrrolidine-3-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O3S/c1-13(2)26-12-15(11-19(26)27)21(29)23-16-9-7-14(8-10-16)20(28)25-22-24-17-5-3-4-6-18(17)30-22/h3-10,13,15H,11-12H2,1-2H3,(H,23,29)(H,24,25,28)