[3-(dimethylaminomethyl)-4-oxidanyl-5-propyl-phenyl]methyl N,N-dimethylcarbamodithioate hydrochloride

Systemtic Name: [3-(dimethylaminomethyl)-4-oxidanyl-5-propyl-phenyl]methyl N,N-dimethylcarbamodithioate hydrochloride Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-5-propyl-phenyl]methyl N,N-dimethylcarbamodithioate hydrochloride CAS Name: N,N-dimethylcarbamodithioic acid [3-(dimethylaminomethyl)-4-hydroxy-5-propylphenyl]methyl ester hydrochloride IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-5-propylphenyl]methyl N,N-dimethylcarbamodithioate hydrochloride Traditional Name: N,N-dimethylcarbamodithioic acid [3-(dimethylaminomethyl)-4-hydroxy-5-propyl-benzyl] ester hydrochloride Formula: C16H27ClN2OS2 MolecularWeight: 362.98138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CSC(=S)N(C)C)CN(C)C)O.Cl

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CSC(=S)N(C)C)CN(C)C)O.Cl

InChI

InChI=1S/C16H26N2OS2.ClH/c1-6-7-13-8-12(11-21-16(20)18(4)5)9-14(15(13)19)10-17(2)3;/h8-9,19H,6-7,10-11H2,1-5H3;1H