[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C24H21ClN2O3S/c1-16(24(29)26-18-8-6-7-17(25)15-18)30-23(28)13-14-27-19-9-2-4-11-21(19)31-22-12-5-3-10-20(22)27/h2-12,15-16H,13-14H2,1H3,(H,26,29)