1-[1-[ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitro-thioxanthen-9-one hydrochloride

Systemtic Name: 1-[1-[ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitro-thioxanthen-9-one hydrochloride Openeye Name: 1-[[2-[ethyl(2-hydroxyethyl)amino]-1-methyl-ethyl]amino]-4-nitro-thioxanthen-9-one hydrochloride CAS Name: 1-[1-[ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitro-9-thioxanthenone hydrochloride IUPAC Name: 1-[1-[ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitrothioxanthen-9-one hydrochloride Traditional Name: 1-[[2-[ethyl(2-hydroxyethyl)amino]-1-methyl-ethyl]amino]-4-nitro-thioxanthen-9-one hydrochloride Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.Cl

Isomeric SMILES

CCN(CCO)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C20H23N3O4S.ClH/c1-3-22(10-11-24)12-13(2)21-15-8-9-16(23(26)27)20-18(15)19(25)14-6-4-5-7-17(14)28-20;/h4-9,13,21,24H,3,10-12H2,1-2H3;1H