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

Systemtic Name: N-butyl-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[(2-chloro-5-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[(2-chloro-5-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-2-3-10-22-19(26)17-13-6-4-5-7-16(13)29-20(17)23-18(25)14-11-12(24(27)28)8-9-15(14)21/h8-9,11H,2-7,10H2,1H3,(H,22,26)(H,23,25)