N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide Openeye Name: 1-isopropyl-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide IUPAC Name: N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide Traditional Name: 1-isopropyl-5-keto-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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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=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c1-12(2)26-11-14(9-19(26)28)21(30)23-15-5-3-13(4-6-15)20(29)25-22-24-17-8-7-16(27(31)32)10-18(17)33-22/h3-8,10,12,14H,9,11H2,1-2H3,(H,23,30)(H,24,25,29)