5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]thiophene-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]thiophene-3-carboxamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-3-carboxamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-3-thiophenecarboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-keto-1-methyl-2-(propylamino)ethyl]thiophene-3-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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