N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-3-chloranyl-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-3-chloranyl-1-benzothiophene-2-carbohydrazide Openeye Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-3-chloro-benzothiophene-2-carbohydrazide CAS Name: N'-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-3-chloro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-3-chloro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-3-chloro-benzothiophene-2-carbohydrazide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O4S2/c23-19-17-7-3-4-8-18(17)31-20(19)22(28)25-24-21(27)15-9-11-16(12-10-15)32(29,30)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-14H2,(H,24,27)(H,25,28)