6-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]cyclohex-3-ene-1-carboxamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22BrN3O2S/c1-14-12-15(24)10-11-18(14)26-21(28)13-25-22(29)16-6-2-3-7-17(16)23-27-19-8-4-5-9-20(19)30-23/h2-5,8-12,16-17H,6-7,13H2,1H3,(H,25,29)(H,26,28)