2-azanyl-6-tert-butyl-N-(2-chloranyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-azanyl-6-tert-butyl-N-(2-chloranyl-5-nitro-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C19H22ClN3O3S/c1-19(2,3)10-4-6-12-15(8-10)27-17(21)16(12)18(24)22-14-9-11(23(25)26)5-7-13(14)20/h5,7,9-10H,4,6,8,21H2,1-3H3,(H,22,24)