[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H22N4O3S/c24-12-5-14-26(15-6-13-25)22(28)17-30-23(29)11-16-27-18-7-1-3-9-20(18)31-21-10-4-2-8-19(21)27/h1-4,7-10H,5-6,11,14-17H2