3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(2-methyl-1-oxopropyl)-2-thiophenecarbohydrazide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-isobutyryl-thiophene-2-carbohydrazide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C(=O)NNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O4S2/c1-12(2)17(22)19-20-18(23)16-15(8-10-26-16)27(24,25)21-9-7-13-5-3-4-6-14(13)11-21/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,19,22)(H,20,23)