2-(aminocarbonylamino)-5-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-6-yl]thiophene-3-carboxamide

Systemtic Name: 2-(aminocarbonylamino)-5-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-6-yl]thiophene-3-carboxamide Openeye Name: 5-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-ureido-thiophene-3-carboxamide CAS Name: 2-(carbamoylamino)-5-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-6-yl]-3-thiophenecarboxamide IUPAC Name: 2-(carbamoylamino)-5-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-6-yl]thiophene-3-carboxamide Traditional Name: 5-(2-tosyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-ureido-thiophene-3-carboxamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=CC(=C3)C4=CC(=C(S4)NC(=O)N)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=CC(=C3)C4=CC(=C(S4)NC(=O)N)C(=O)N

InChI

InChI=1S/C22H22N4O4S2/c1-13-2-6-17(7-3-13)32(29,30)26-9-8-14-10-15(4-5-16(14)12-26)19-11-18(20(23)27)21(31-19)25-22(24)28/h2-7,10-11H,8-9,12H2,1H3,(H2,23,27)(H3,24,25,28)