N-[(2-methylphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-[(2-methylphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: 10-(1-methyl-2-pyrrolidin-1-yl-ethyl)-N-(o-tolylmethyl)phenothiazine-2-carbothioamide CAS Name: N-[(2-methylphenyl)methyl]-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-[(2-methylphenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-(2-methylbenzyl)-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C28H31N3S2 MolecularWeight: 473.69584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(C)CN5CCCC5

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(C)CN5CCCC5

InChI

InChI=1S/C28H31N3S2/c1-20-9-3-4-10-23(20)18-29-28(32)22-13-14-27-25(17-22)31(21(2)19-30-15-7-8-16-30)24-11-5-6-12-26(24)33-27/h3-6,9-14,17,21H,7-8,15-16,18-19H2,1-2H3,(H,29,32)