(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl N,N-diethylcarbamodithioate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H30N4O2S3 MolecularWeight: 454.6728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC(=S)N(CC)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC(=S)N(CC)CC

InChI

InChI=1S/C20H30N4O2S3/c1-4-22(5-2)20(27)28-15-19-21-17-14-16(10-11-18(17)24(19)6-3)29(25,26)23-12-8-7-9-13-23/h10-11,14H,4-9,12-13,15H2,1-3H3