2-[(2-nitrophenyl)carbonylamino]-6-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-nitrophenyl)carbonylamino]-6-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-nitrobenzoyl)amino]-6-pentyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-6-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-nitrobenzoyl)amino]-6-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-amyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-7-13-10-11-15-17(12-13)29-21(18(15)19(22)25)23-20(26)14-8-5-6-9-16(14)24(27)28/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H2,22,25)(H,23,26)