N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxidanylidene-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxidanylidene-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-allyl-N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxo-ethyl]thiadiazole-4-carboxamide CAS Name: N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-prop-2-enyl-4-thiadiazolecarboxamide IUPAC Name: N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide Traditional Name: N-allyl-N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-keto-ethyl]thiadiazole-4-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CSN=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CSN=N3

InChI

InChI=1S/C22H28N4O2S/c1-3-14-26(22(28)19-15-29-25-24-19)20(17-12-10-16(4-2)11-13-17)21(27)23-18-8-6-5-7-9-18/h3,10-13,15,18,20H,1,4-9,14H2,2H3,(H,23,27)