N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-1-carbothioamide

Systemtic Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-1-carbothioamide Openeye Name: N-isopentyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-1-carbothioamide CAS Name: N-(3-methylbutyl)-10-[1-(1-pyrrolidinyl)propyl]-1-phenothiazinecarbothioamide IUPAC Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-1-carbothioamide Traditional Name: N-isoamyl-10-(1-pyrrolidinopropyl)phenothiazine-1-carbothioamide Formula: C25H33N3S2 MolecularWeight: 439.67962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=CC=CC(=C42)C(=S)NCCC(C)C

Isomeric SMILES

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=CC=CC(=C42)C(=S)NCCC(C)C

InChI

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