N-(4-methylpentyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-(4-methylpentyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-isohexyl-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide CAS Name: N-(4-methylpentyl)-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-(4-methylpentyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-isohexyl-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C26H35N3S2 MolecularWeight: 453.7062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3S2/c1-19(2)9-8-14-27-26(30)21-12-13-25-23(17-21)29(20(3)18-28-15-6-7-16-28)22-10-4-5-11-24(22)31-25/h4-5,10-13,17,19-20H,6-9,14-16,18H2,1-3H3,(H,27,30)