2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiazole-5-carboxamide CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-5-thiazolecarboxamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1,3-thiazole-5-carboxamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiazole-5-carboxamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC=C(S4)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC=C(S4)C(=O)N

InChI

InChI=1S/C20H18N4O4S2/c21-18(25)17-11-22-20(29-17)23-19(26)14-5-7-16(8-6-14)30(27,28)24-10-9-13-3-1-2-4-15(13)12-24/h1-8,11H,9-10,12H2,(H2,21,25)(H,22,23,26)