N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide

Systemtic Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Openeye Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide CAS Name: N-(2-methylbutyl)-10-[1-(1-pyrrolidinyl)propyl]-2-phenothiazinecarbothioamide IUPAC Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Traditional Name: N-(2-methylbutyl)-10-(1-pyrrolidinopropyl)phenothiazine-2-carbothioamide Formula: C25H33N3S2 MolecularWeight: 439.67962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4

Isomeric SMILES

CCC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4

InChI

InChI=1S/C25H33N3S2/c1-4-18(3)17-26-25(29)19-12-13-23-21(16-19)28(20-10-6-7-11-22(20)30-23)24(5-2)27-14-8-9-15-27/h6-7,10-13,16,18,24H,4-5,8-9,14-15,17H2,1-3H3,(H,26,29)