butan-2-yl 2-(3-oxidanylidene-1-phenothiazin-10-ylcarbonyl-piperazin-2-yl)ethanoate

Systemtic Name: butan-2-yl 2-(3-oxidanylidene-1-phenothiazin-10-ylcarbonyl-piperazin-2-yl)ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-(phenothiazine-10-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo(10-phenothiazinyl)methyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-(phenothiazine-10-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(phenothiazine-10-carbonyl)piperazin-2-yl]acetic acid sec-butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H25N3O4S/c1-3-15(2)30-21(27)14-18-22(28)24-12-13-25(18)23(29)26-16-8-4-6-10-19(16)31-20-11-7-5-9-17(20)26/h4-11,15,18H,3,12-14H2,1-2H3,(H,24,28)