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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Formula: C23H22ClN3O2S2 MolecularWeight: 472.02268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22ClN3O2S2/c1-16-21(24)7-4-8-22(16)26-23(30)25-19-9-11-20(12-10-19)31(28,29)27-14-13-17-5-2-3-6-18(17)15-27/h2-12H,13-15H2,1H3,(H2,25,26,30)