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

Systemtic Name: 1-(4-butoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(4-butoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(4-butoxyphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)CCC)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)CCC)C=C2

InChI

InChI=1S/C23H31N3O4S/c1-3-5-14-30-22-10-8-20(9-11-22)24-23(27)25-21-7-6-18-12-13-26(17-19(18)16-21)31(28,29)15-4-2/h6-11,16H,3-5,12-15,17H2,1-2H3,(H2,24,25,27)