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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(3,4-dimethylphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-4-11-28(26,27)24-10-9-17-6-8-20(13-18(17)14-24)23-21(25)22-19-7-5-15(2)16(3)12-19/h5-8,12-13H,4,9-11,14H2,1-3H3,(H2,22,23,25)