3-(heptan-4-ylamino)-1-phenothiazin-10-yl-propan-1-one hydrobromide

Systemtic Name: 3-(heptan-4-ylamino)-1-phenothiazin-10-yl-propan-1-one hydrobromide Openeye Name: 1-phenothiazin-10-yl-3-(1-propylbutylamino)propan-1-one hydrobromide CAS Name: 3-(heptan-4-ylamino)-1-(10-phenothiazinyl)-1-propanone hydrobromide IUPAC Name: 3-(heptan-4-ylamino)-1-phenothiazin-10-ylpropan-1-one hydrobromide Traditional Name: 1-phenothiazin-10-yl-3-(1-propylbutylamino)propan-1-one hydrobromide Formula: C22H29BrN2OS MolecularWeight: 449.44746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NCCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.Br

Isomeric SMILES

CCCC(CCC)NCCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.Br

InChI

InChI=1S/C22H28N2OS.BrH/c1-3-9-17(10-4-2)23-16-15-22(25)24-18-11-5-7-13-20(18)26-21-14-8-6-12-19(21)24;/h5-8,11-14,17,23H,3-4,9-10,15-16H2,1-2H3;1H