5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(2-methylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(2-methylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(2-methylanilino)thiazol-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-2-(2-methylanilino)-4-thiazolone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-methylanilino)-1,3-thiazol-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-2-(o-toluidino)-2-thiazolin-4-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(S2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C(S2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-13-8-4-5-9-14(13)19-18-20-17(23)15(24-18)12-16(22)21-10-6-2-3-7-11-21/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3,(H,19,20,23)