S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-3-methylsulfonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamothioate

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-3-methylsulfonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-3-methylsulfonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-3-methylsulfonyl-6-(propylthio)-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-3-methylsulfonyl-6-propylsulfanylbenzimidazol-5-yl)carbamothioate Traditional Name: N-[2-tert-butyl-3-mesyl-6-(propylthio)benzimidazol-5-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C21H33N5O3S3 MolecularWeight: 499.71342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2S(=O)(=O)C)C(C)(C)C)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2S(=O)(=O)C)C(C)(C)C)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C21H33N5O3S3/c1-7-12-30-18-14-15-17(26(32(6,28)29)19(22-15)21(2,3)4)13-16(18)23-20(27)31-25-10-8-24(5)9-11-25/h13-14H,7-12H2,1-6H3,(H,23,27)