N-[5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[5-[[2-(4-butylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[5-[[2-(4-butylanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H28N4O2S2/c1-2-3-7-15-10-12-17(13-11-15)22-18(26)14-28-21-25-24-20(29-21)23-19(27)16-8-5-4-6-9-16/h10-13,16H,2-9,14H2,1H3,(H,22,26)(H,23,24,27)