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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-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=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

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

InChI

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