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

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2S2/c23-18-5-7-19(8-6-18)24-22(29)25-20-9-11-21(12-10-20)30(27,28)26-14-13-16-3-1-2-4-17(16)15-26/h1-12H,13-15H2,(H2,24,25,29)