S-azanyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carbothioate

Systemtic Name: S-azanyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carbothioate Openeye Name: S-amino 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carbothioate CAS Name: 4-[4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]-1-piperazinecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]piperazine-1-carbothioic acid S-amino ester Formula: C22H23Cl2N5OS2 MolecularWeight: 508.48692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)SN

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)SN

InChI

InChI=1S/C22H23Cl2N5OS2/c23-16-1-6-19(20(24)13-16)21(14-27-8-7-26-15-27)31-18-4-2-17(3-5-18)28-9-11-29(12-10-28)22(30)32-25/h1-8,13,15,21H,9-12,14,25H2