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

Systemtic Name: N-[(1R)-2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxidanylidene-ethyl]-N-cyclopropyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1R)-2-(cyclohexylamino)-1-(m-tolyl)-2-oxo-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-cyclopropyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-(m-tolyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)NC2CCCCC2)N(C3CC3)C(=O)C4=CSN=N4

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](C(=O)NC2CCCCC2)N(C3CC3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H26N4O2S/c1-14-6-5-7-15(12-14)19(20(26)22-16-8-3-2-4-9-16)25(17-10-11-17)21(27)18-13-28-24-23-18/h5-7,12-13,16-17,19H,2-4,8-11H2,1H3,(H,22,26)/t19-/m1/s1