4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide Formula: C27H26Cl2N5S+ MolecularWeight: 523.49984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H25Cl2N5S/c28-23-11-10-19(16-24(23)29)31-27(35)34-14-12-33(13-15-34)26-22(17-30)20-8-4-5-9-21(20)25(32-26)18-6-2-1-3-7-18/h1-3,6-7,10-11,16H,4-5,8-9,12-15H2,(H,31,35)/p+1