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

Systemtic Name: N-pentyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: 10-(1-methyl-2-pyrrolidin-1-yl-ethyl)-N-pentyl-phenothiazine-2-carbothioamide CAS Name: N-pentyl-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-pentyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-amyl-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C25H33N3S2 MolecularWeight: 439.67962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3S2/c1-3-4-7-14-26-25(29)20-12-13-24-22(17-20)28(19(2)18-27-15-8-9-16-27)21-10-5-6-11-23(21)30-24/h5-6,10-13,17,19H,3-4,7-9,14-16,18H2,1-2H3,(H,26,29)