N-[3-(3-methylpentan-3-yl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide

Systemtic Name: N-[3-(3-methylpentan-3-yl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide Openeye Name: N-[3-(1-ethyl-1-methyl-propyl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxy-benzenecarbothioamide CAS Name: N-[3-(3-methylpentan-3-yl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxybenzenecarbothioamide IUPAC Name: N-[3-(3-methylpentan-3-yl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxybenzenecarbothioamide Traditional Name: N-[3-(1-ethyl-1-methyl-propyl)-1,2,4-thiadiazol-5-yl]-2,6-dipropoxy-thiobenzamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC=C1)OCCC)C(=S)NC2=NC(=NS2)C(C)(CC)CC

Isomeric SMILES

CCCOC1=C(C(=CC=C1)OCCC)C(=S)NC2=NC(=NS2)C(C)(CC)CC

InChI

InChI=1S/C21H31N3O2S2/c1-6-13-25-15-11-10-12-16(26-14-7-2)17(15)18(27)22-20-23-19(24-28-20)21(5,8-3)9-4/h10-12H,6-9,13-14H2,1-5H3,(H,22,23,24,27)