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

Systemtic Name: 1-butyl-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-butyl-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-butyl-N-[4-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-N-[4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC(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/C23H23N5O5S/c1-2-3-10-27-13-15(11-20(27)29)22(31)24-16-6-4-14(5-7-16)21(30)26-23-25-18-9-8-17(28(32)33)12-19(18)34-23/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,31)(H,25,26,30)