4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-[4-[besyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C24H30N6O3S2 MolecularWeight: 514.6634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O3S2/c1-33-16-11-26-24(34)29-14-12-28(13-15-29)21-7-9-22(10-8-21)30(18-20-17-25-19-27-20)35(31,32)23-5-3-2-4-6-23/h2-10,17,19H,11-16,18H2,1H3,(H,25,27)(H,26,34)