[4-(2,2-dimethylpropanoylamino)-5-(4-methylphenoxy)pyridin-3-yl] N,N-dimethylcarbamodithioate

Systemtic Name: [4-(2,2-dimethylpropanoylamino)-5-(4-methylphenoxy)pyridin-3-yl] N,N-dimethylcarbamodithioate Openeye Name: [4-(2,2-dimethylpropanoylamino)-5-(4-methylphenoxy)-3-pyridyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [4-[(2,2-dimethyl-1-oxopropyl)amino]-5-(4-methylphenoxy)-3-pyridinyl] ester IUPAC Name: [4-(2,2-dimethylpropanoylamino)-5-(4-methylphenoxy)pyridin-3-yl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [5-(4-methylphenoxy)-4-(pivaloylamino)-3-pyridyl] ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CN=CC(=C2NC(=O)C(C)(C)C)SC(=S)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CN=CC(=C2NC(=O)C(C)(C)C)SC(=S)N(C)C

InChI

InChI=1S/C20H25N3O2S2/c1-13-7-9-14(10-8-13)25-15-11-21-12-16(27-19(26)23(5)6)17(15)22-18(24)20(2,3)4/h7-12H,1-6H3,(H,21,22,24)