1-[4-[3-(2-methoxyphenothiazin-10-yl)-2-oxidanylidene-propyl]piperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate

Systemtic Name: 1-[4-[3-(2-methoxyphenothiazin-10-yl)-2-oxidanylidene-propyl]piperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate Openeye Name: [2-[4-[3-(2-methoxyphenothiazin-10-yl)-2-oxo-propyl]piperazin-1-yl]-1-methyl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 1-[4-[3-(2-methoxy-10-phenothiazinyl)-2-oxopropyl]-1-piperazinyl]propan-2-yl ester IUPAC Name: 1-[4-[3-(2-methoxyphenothiazin-10-yl)-2-oxopropyl]piperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[4-[2-keto-3-(2-methoxyphenothiazin-10-yl)propyl]piperazino]-1-methyl-ethyl] ester Formula: C33H39N3O7S MolecularWeight: 621.74366

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC(=O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CC(CN1CCN(CC1)CC(=O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C33H39N3O7S/c1-22(43-33(38)23-16-28(40-3)32(42-5)29(17-23)41-4)19-34-12-14-35(15-13-34)20-24(37)21-36-26-8-6-7-9-30(26)44-31-11-10-25(39-2)18-27(31)36/h6-11,16-18,22H,12-15,19-21H2,1-5H3