3-chloranyl-N-cyclohexyl-N-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-cyclohexyl-N-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-cyclohexyl-N-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-cyclohexyl-N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-cyclohexyl-N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-cyclohexyl-N-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]benzothiophene-2-carboxamide Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2CCCCC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2CCCCC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-15-11-12-17(28(31)32)13-19(15)26-21(29)14-27(16-7-3-2-4-8-16)24(30)23-22(25)18-9-5-6-10-20(18)33-23/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,26,29)