N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-isobutyl-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide CAS Name: N-(2-methylpropyl)-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-isobutyl-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C24H31N3S2 MolecularWeight: 425.65304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CCCC4

Isomeric SMILES

CC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CCCC4

InChI

InChI=1S/C24H31N3S2/c1-17(2)15-25-24(28)19-10-11-23-21(14-19)27(18(3)16-26-12-6-7-13-26)20-8-4-5-9-22(20)29-23/h4-5,8-11,14,17-18H,6-7,12-13,15-16H2,1-3H3,(H,25,28)