N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride

Systemtic Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride Openeye Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride CAS Name: N-(2-methylbutyl)-10-[1-(1-pyrrolidinyl)propyl]-2-phenothiazinecarbothioamide hydrochloride IUPAC Name: N-(2-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride Traditional Name: N-(2-methylbutyl)-10-(1-pyrrolidinopropyl)phenothiazine-2-carbothioamide hydrochloride Formula: C25H34ClN3S2 MolecularWeight: 476.14056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4.Cl

Isomeric SMILES

CCC(C)CNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4.Cl

InChI

InChI=1S/C25H33N3S2.ClH/c1-4-18(3)17-26-25(29)19-12-13-23-21(16-19)28(20-10-6-7-11-22(20)30-23)24(5-2)27-14-8-9-15-27;/h6-7,10-13,16,18,24H,4-5,8-9,14-15,17H2,1-3H3,(H,26,29);1H