N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-cyclopentyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-(3-methoxyphenyl)ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)NC2CCCCC2)N(C3CCCC3)C(=O)C4=CSN=N4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=O)NC2CCCCC2)N(C3CCCC3)C(=O)C4=CSN=N4

InChI

InChI=1S/C23H30N4O3S/c1-30-19-13-7-8-16(14-19)21(22(28)24-17-9-3-2-4-10-17)27(18-11-5-6-12-18)23(29)20-15-31-26-25-20/h7-8,13-15,17-18,21H,2-6,9-12H2,1H3,(H,24,28)/t21-/m0/s1