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

Systemtic Name: 2-azanyl-N-(2-chloranyl-5-nitro-phenyl)carbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-N-(2-chloro-5-nitro-benzoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-N-[(2-chloro-5-nitrophenyl)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-N-(2-chloro-5-nitrobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-N-(2-chloro-5-nitro-benzoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C17H16ClN3O4S/c1-8-2-4-10-13(6-8)26-15(19)14(10)17(23)20-16(22)11-7-9(21(24)25)3-5-12(11)18/h3,5,7-8H,2,4,6,19H2,1H3,(H,20,22,23)