5-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-methyl-N'-[2-(thiazol-4-ylmethylsulfanyl)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-methyl-N'-[oxo-[2-(4-thiazolylmethylthio)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-methyl-N'-[2-(thiazol-4-ylmethylthio)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C21H21N3O2S3/c1-13-6-7-17-14(8-13)9-19(29-17)21(26)24-23-20(25)16-4-2-3-5-18(16)28-11-15-10-27-12-22-15/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,23,25)(H,24,26)