N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride

Systemtic Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride Openeye Name: N-isopentyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride CAS Name: N-(3-methylbutyl)-10-[1-(1-pyrrolidinyl)propyl]-2-phenothiazinecarbothioamide hydrochloride IUPAC Name: N-(3-methylbutyl)-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide hydrochloride Traditional Name: N-isoamyl-10-(1-pyrrolidinopropyl)phenothiazine-2-carbothioamide hydrochloride Formula: C25H34ClN3S2 MolecularWeight: 476.14056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)C.Cl

Isomeric SMILES

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)C.Cl

InChI

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