2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[4-(methylthio)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4S2/c1-32-20-12-11-16(13-18(20)27(30)31)22(28)26-24-21(17-9-5-6-10-19(17)33-24)23(29)25-14-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,25,29)(H,26,28)