N-[4-[(azepan-1-ylcarbothioylamino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: N-[4-[(azepan-1-ylcarbothioylamino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: N-[4-[(azepane-1-carbothioylamino)methyl]thiazol-2-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-[4-[[[1-azepanyl(sulfanylidene)methyl]amino]methyl]-2-thiazolyl]-N-(2-ethylphenyl)acetamide IUPAC Name: N-[4-[(azepane-1-carbothioylamino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-[4-[(azepane-1-carbothioylamino)methyl]thiazol-2-yl]-N-(2-ethylphenyl)acetamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)N3CCCCCC3)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)N3CCCCCC3)C(=O)C

InChI

InChI=1S/C21H28N4OS2/c1-3-17-10-6-7-11-19(17)25(16(2)26)21-23-18(15-28-21)14-22-20(27)24-12-8-4-5-9-13-24/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,22,27)