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

Systemtic Name: N-[5-(3-ethyldodecan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[5-(1,1-diethyldecyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-[5-(3-ethyldodecan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-[5-(3-ethyldodecan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[5-(1,1-diethyldecyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-thiobenzamide Formula: C25H39N3O2S2 MolecularWeight: 477.72606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)(CC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCCCCCC(CC)(CC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C25H39N3O2S2/c1-6-9-10-11-12-13-14-18-25(7-2,8-3)23-27-28-24(32-23)26-22(31)21-19(29-4)16-15-17-20(21)30-5/h15-17H,6-14,18H2,1-5H3,(H,26,28,31)