N-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide

Systemtic Name: N-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Openeye Name: N-[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide CAS Name: N-[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide IUPAC Name: N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide Traditional Name: N-[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-25-14-9-5-6-12(10-14)16(24)20-17-21-22-18(27-17)26-11-15(23)19-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,23)(H,20,21,24)