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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3S2/c1-3-4-13-25-24(28)19-11-12-23-21(16-19)27(18(2)17-26-14-7-8-15-26)20-9-5-6-10-22(20)29-23/h5-6,9-12,16,18H,3-4,7-8,13-15,17H2,1-2H3,(H,25,28)