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

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-2-3-10-4-6-13-15(8-10)28-19(16(13)17(21)24)22-18(25)12-7-5-11(23(26)27)9-14(12)20/h5,7,9-10H,2-4,6,8H2,1H3,(H2,21,24)(H,22,25)