N-[5-(butanoylamino)-2-chloranyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-chloro-5-(1-oxobutylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C19H15Cl2N3O4S MolecularWeight: 452.3111

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15Cl2N3O4S/c1-2-4-15(25)22-10-7-8-12(20)13(9-10)23-19(26)18-16(21)11-5-3-6-14(24(27)28)17(11)29-18/h3,5-9H,2,4H2,1H3,(H,22,25)(H,23,26)