6-(1,3-benzothiazol-2-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-nitroanilino)ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-nitroanilino)ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-nitroanilino)ethyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-nitroanilino)ethyl]cyclohex-3-ene-1-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c27-21(24-14-13-23-17-9-3-5-11-19(17)26(28)29)15-7-1-2-8-16(15)22-25-18-10-4-6-12-20(18)30-22/h1-6,9-12,15-16,23H,7-8,13-14H2,(H,24,27)