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

Systemtic Name: 1-(3-phenylpropyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(3-phenylpropyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(3-phenylpropyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-(3-phenylpropyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(3-phenylpropyl)-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-15-29(27,28)25-14-12-19-10-11-21(16-20(19)17-25)24-22(26)23-13-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,16H,2,6,9,12-15,17H2,1H3,(H2,23,24,26)