3-chloranyl-N-(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(2-methyl-5-morpholino-4-nitro-phenyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-methyl-5-(4-morpholinyl)-4-nitrophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-methyl-5-morpholin-4-yl-4-nitrophenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-methyl-5-morpholino-4-nitro-phenyl)benzothiophene-2-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O4S/c1-12-10-16(24(26)27)15(23-6-8-28-9-7-23)11-14(12)22-20(25)19-18(21)13-4-2-3-5-17(13)29-19/h2-5,10-11H,6-9H2,1H3,(H,22,25)