[2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-keto-2-[[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]amino]ethyl] ester Formula: C18H25N3O2S4 MolecularWeight: 443.67

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC(=S)N(C)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC(=S)N(C)C)OC

InChI

InChI=1S/C18H25N3O2S4/c1-18(2,23-5)8-9-25-16-20-13-7-6-12(10-14(13)27-16)19-15(22)11-26-17(24)21(3)4/h6-7,10H,8-9,11H2,1-5H3,(H,19,22)