N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]thiophene-2-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S2/c26-21(23-13-16-8-10-18(11-9-16)25(28)29)19(24-22(27)20-7-4-12-31-20)15-30-14-17-5-2-1-3-6-17/h4,7-12,17,19H,1-3,5-6,13-15H2,(H,23,26)(H,24,27)