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

Systemtic Name: dodecyl 2-(3-oxidanylidene-1-phenothiazin-10-ylcarbonyl-piperazin-2-yl)ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C31H41N3O4S MolecularWeight: 551.73994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C31H41N3O4S/c1-2-3-4-5-6-7-8-9-10-15-22-38-29(35)23-26-30(36)32-20-21-33(26)31(37)34-24-16-11-13-18-27(24)39-28-19-14-12-17-25(28)34/h11-14,16-19,26H,2-10,15,20-23H2,1H3,(H,32,36)