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

Systemtic Name: N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-allyl-N-[2-(cyclohexylamino)-2-oxo-1-(p-tolyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-prop-2-enyl-4-thiadiazolecarboxamide IUPAC Name: N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide Traditional Name: N-allyl-N-[2-(cyclohexylamino)-2-keto-1-(p-tolyl)ethyl]thiadiazole-4-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CSN=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H26N4O2S/c1-3-13-25(21(27)18-14-28-24-23-18)19(16-11-9-15(2)10-12-16)20(26)22-17-7-5-4-6-8-17/h3,9-12,14,17,19H,1,4-8,13H2,2H3,(H,22,26)