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

Systemtic Name: 1-(3-methoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(3-methoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(3-methoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(3-methoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(3-methoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-3-11-28(25,26)23-10-9-15-7-8-18(12-16(15)14-23)22-20(24)21-17-5-4-6-19(13-17)27-2/h4-8,12-13H,3,9-11,14H2,1-2H3,(H2,21,22,24)