N'-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-[4-(4-chloro-2-methyl-phenoxy)butanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-[4-(4-chloro-2-methyl-phenoxy)butanoyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H22ClN3O4S/c1-13-11-15(22)5-6-17(13)29-9-2-3-20(27)24-25-21(28)14-4-7-18-16(12-14)23-19(26)8-10-30-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,23,26)(H,24,27)(H,25,28)