S-azanyl 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carbothioate

Systemtic Name: S-azanyl 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carbothioate Openeye Name: S-amino 4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazine-1-carbothioate CAS Name: 4-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1-piperazinecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazine-1-carbothioic acid S-amino ester Formula: C24H28ClN5OS2 MolecularWeight: 502.09502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4)C(=O)SN

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4)C(=O)SN

InChI

InChI=1S/C24H28ClN5OS2/c25-20-4-1-19(2-5-20)3-8-23(17-28-12-11-27-18-28)32-22-9-6-21(7-10-22)29-13-15-30(16-14-29)24(31)33-26/h1-2,4-7,9-12,18,23H,3,8,13-17,26H2