2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; 2-oxidanylbutanedioate

Systemtic Name: 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; 2-oxidanylbutanedioate Openeye Name: 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; 2-hydroxybutanedioate CAS Name: 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; 2-hydroxybutanedioate IUPAC Name: 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; 2-hydroxybutanedioate Traditional Name: 2-(ethylthio)-10-[3-(4-methylpiperazino)propyl]phenothiazine; 2-hydroxysuccinate Formula: C30H37N3O10S2-4 MolecularWeight: 663.75888

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C22H29N3S2.2C4H6O5/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)/p-4