N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-1-(4-nitrophenyl)cyclopentanecarboxamide CAS Name: 1-(4-nitrophenyl)-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-1-cyclopentanecarboxamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-1-(4-nitrophenyl)cyclopentanecarboxamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c1-2-5-20(28)26-22-25-18-11-8-16(14-19(18)32-22)24-21(29)23(12-3-4-13-23)15-6-9-17(10-7-15)27(30)31/h6-11,14H,2-5,12-13H2,1H3,(H,24,29)(H,25,26,28)