ethyl 2-tert-butyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]-5-propylsulfanyl-benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-tert-butyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]-5-propylsulfanyl-benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]-5-propylsulfanyl-benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-6-[[[(4-methyl-1-piperazinyl)thio]-oxomethyl]amino]-5-(propylthio)-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]-5-propylsulfanylbenzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-6-[[(4-methylpiperazino)thio]carbonylamino]-5-(propylthio)benzimidazole-1-carboxylic acid ethyl ester Formula: C23H35N5O3S2 MolecularWeight: 493.6857

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C(C)(C)C)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)OCC)C(C)(C)C)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C23H35N5O3S2/c1-7-13-32-19-15-16-18(28(22(30)31-8-2)20(24-16)23(3,4)5)14-17(19)25-21(29)33-27-11-9-26(6)10-12-27/h14-15H,7-13H2,1-6H3,(H,25,29)