2-azanyl-2-[3-oxidanylidene-3-(phenethylamino)propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide

Systemtic Name: 2-azanyl-2-[3-oxidanylidene-3-(phenethylamino)propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide Openeye Name: 2-amino-2-[3-oxo-3-(phenethylamino)propyl]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)cyclohexanecarboxamide CAS Name: 2-amino-2-[3-oxo-3-(phenethylamino)propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1-cyclohexanecarboxamide IUPAC Name: 2-amino-2-[3-oxo-3-(phenethylamino)propyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)cyclohexane-1-carboxamide Traditional Name: 2-amino-2-[3-keto-3-(phenethylamino)propyl]-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)cyclohexanecarboxamide Formula: C20H27N5O2S2 MolecularWeight: 433.59068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NNC(=S)S2)(CCC(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=NNC(=S)S2)(CCC(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H27N5O2S2/c21-20(12-9-16(26)22-13-10-14-6-2-1-3-7-14)11-5-4-8-15(20)17(27)23-18-24-25-19(28)29-18/h1-3,6-7,15H,4-5,8-13,21H2,(H,22,26)(H,25,28)(H,23,24,27)