3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-keto-1-methyl-2-(propylamino)ethyl]thiophene-2-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCNC(=O)C(C)NC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N3O4S2/c1-3-10-21-19(24)14(2)22-20(25)18-17(9-12-28-18)29(26,27)23-11-8-15-6-4-5-7-16(15)13-23/h4-7,9,12,14H,3,8,10-11,13H2,1-2H3,(H,21,24)(H,22,25)