N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-isopentyl-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide CAS Name: N-(3-methylbutyl)-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-isoamyl-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C25H33N3S2 MolecularWeight: 439.67962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3S2/c1-18(2)12-13-26-25(29)20-10-11-24-22(16-20)28(19(3)17-27-14-6-7-15-27)21-8-4-5-9-23(21)30-24/h4-5,8-11,16,18-19H,6-7,12-15,17H2,1-3H3,(H,26,29)