3-chloranyl-N-cyclohexyl-N-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-cyclohexyl-N-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-cyclohexyl-N-[2-(3-nitroanilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-cyclohexyl-N-[2-(3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-cyclohexyl-N-[2-(3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-cyclohexyl-N-[2-keto-2-(3-nitroanilino)ethyl]benzothiophene-2-carboxamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC(CC1)N(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H22ClN3O4S/c24-21-18-11-4-5-12-19(18)32-22(21)23(29)26(16-8-2-1-3-9-16)14-20(28)25-15-7-6-10-17(13-15)27(30)31/h4-7,10-13,16H,1-3,8-9,14H2,(H,25,28)