[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C28H25N3O3S2 MolecularWeight: 515.6464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H25N3O3S2/c1-19-10-12-20(13-11-19)29-26(32)16-27-30-21(18-35-27)17-34-28(33)14-15-31-22-6-2-4-8-24(22)36-25-9-5-3-7-23(25)31/h2-13,18H,14-17H2,1H3,(H,29,32)