5-methyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-methyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-methyl-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-methyl-N'-(4-pyrrolidinosulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O4S2/c1-14-4-9-18-16(12-14)13-19(29-18)21(26)23-22-20(25)15-5-7-17(8-6-15)30(27,28)24-10-2-3-11-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,25)(H,23,26)