[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C21H23N3O4S/c1-14(2)22-21(27)23-19(25)13-28-20(26)11-12-24-15-7-3-5-9-17(15)29-18-10-6-4-8-16(18)24/h3-10,14H,11-13H2,1-2H3,(H2,22,23,25,27)