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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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