1-(4-ethoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(4-ethoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-ethoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(4-ethoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(4-ethoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-p-phenetyl-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-13-29(26,27)24-12-11-16-5-6-19(14-17(16)15-24)23-21(25)22-18-7-9-20(10-8-18)28-4-2/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,22,23,25)