2-[(4-methyl-3-nitro-phenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-methyl-3-nitro-phenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-methyl-3-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-methyl-3-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-methyl-3-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-3-4-12-6-8-14-16(9-12)28-20(17(14)18(21)24)22-19(25)13-7-5-11(2)15(10-13)23(26)27/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H2,21,24)(H,22,25)