[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-16(25(31)27-18-12-10-17(11-13-18)24(26)30)32-23(29)14-15-28-19-6-2-4-8-21(19)33-22-9-5-3-7-20(22)28/h2-13,16H,14-15H2,1H3,(H2,26,30)(H,27,31)