(phenylmethyl) N-[4-[5-(dimethylaminomethyl)-1,2-oxazol-3-yl]cyclohexyl]-N-methyl-carbamodithioate

Systemtic Name: (phenylmethyl) N-[4-[5-(dimethylaminomethyl)-1,2-oxazol-3-yl]cyclohexyl]-N-methyl-carbamodithioate Openeye Name: benzyl N-[4-[5-(dimethylaminomethyl)isoxazol-3-yl]cyclohexyl]-N-methyl-carbamodithioate CAS Name: N-[4-[5-(dimethylaminomethyl)-3-isoxazolyl]cyclohexyl]-N-methylcarbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[5-(dimethylaminomethyl)-1,2-oxazol-3-yl]cyclohexyl]-N-methylcarbamodithioate Traditional Name: N-[4-[5-(dimethylaminomethyl)isoxazol-3-yl]cyclohexyl]-N-methyl-carbamodithioic acid benzyl ester Formula: C21H29N3OS2 MolecularWeight: 403.60446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NO1)C2CCC(CC2)N(C)C(=S)SCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=NO1)C2CCC(CC2)N(C)C(=S)SCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3OS2/c1-23(2)14-19-13-20(22-25-19)17-9-11-18(12-10-17)24(3)21(26)27-15-16-7-5-4-6-8-16/h4-8,13,17-18H,9-12,14-15H2,1-3H3