1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethylphenyl)thiourea Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C24H25N3O2S2/c1-17-13-18(2)15-22(14-17)26-24(30)25-21-7-9-23(10-8-21)31(28,29)27-12-11-19-5-3-4-6-20(19)16-27/h3-10,13-15H,11-12,16H2,1-2H3,(H2,25,26,30)