N-[(3-fluorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-[(3-fluorophenyl)methyl]-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide CAS Name: N-[(3-fluorophenyl)methyl]-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-[(3-fluorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-(3-fluorobenzyl)-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C27H28FN3S2 MolecularWeight: 477.659723

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5=CC(=CC=C5)F

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C27H28FN3S2/c1-19(18-30-13-4-5-14-30)31-23-9-2-3-10-25(23)33-26-12-11-21(16-24(26)31)27(32)29-17-20-7-6-8-22(28)15-20/h2-3,6-12,15-16,19H,4-5,13-14,17-18H2,1H3,(H,29,32)