4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-propyl-piperazine-1-carbothioamide CAS Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-propylpiperazine-1-carbothioamide Traditional Name: 4-[4-[besyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-propyl-piperazine-1-carbothioamide Formula: C24H30N6O2S2 MolecularWeight: 498.664

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H30N6O2S2/c1-2-12-26-24(33)29-15-13-28(14-16-29)21-8-10-22(11-9-21)30(18-20-17-25-19-27-20)34(31,32)23-6-4-3-5-7-23/h3-11,17,19H,2,12-16,18H2,1H3,(H,25,27)(H,26,33)