(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C19H28N4O3S3 MolecularWeight: 456.64562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC(=S)N(CC)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC(=S)N(CC)CC

InChI

InChI=1S/C19H28N4O3S3/c1-4-21(5-2)19(27)28-14-18-20-16-13-15(7-8-17(16)23(18)6-3)29(24,25)22-9-11-26-12-10-22/h7-8,13H,4-6,9-12,14H2,1-3H3