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

Systemtic Name: 2,6-dimethoxy-N-[5-[3-(phenylmethyl)pentan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Openeye Name: N-[5-(1-benzyl-1-ethyl-propyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: 2,6-dimethoxy-N-[5-[3-(phenylmethyl)pentan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide IUPAC Name: N-[5-(3-benzylpentan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[5-(1-benzyl-1-ethyl-propyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-thiobenzamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC=CC=C1)C2=NN=C(S2)NC(=S)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCC(CC)(CC1=CC=CC=C1)C2=NN=C(S2)NC(=S)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C23H27N3O2S2/c1-5-23(6-2,15-16-11-8-7-9-12-16)21-25-26-22(30-21)24-20(29)19-17(27-3)13-10-14-18(19)28-4/h7-14H,5-6,15H2,1-4H3,(H,24,26,29)