3-chloranyl-N-[4-(diethylamino)-2-methyl-phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(diethylamino)-2-methyl-phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(diethylamino)-2-methyl-phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(diethylamino)-2-methylphenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(diethylamino)-2-methylphenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(diethylamino)-2-methyl-phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H20ClN3O3S/c1-4-23(5-2)13-9-10-15(12(3)11-13)22-20(25)19-17(21)14-7-6-8-16(24(26)27)18(14)28-19/h6-11H,4-5H2,1-3H3,(H,22,25)