N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-(3,3-dimethylbutyl)-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide CAS Name: N-(3,3-dimethylbutyl)-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-(3,3-dimethylbutyl)-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide Formula: C26H35N3S2 MolecularWeight: 453.7062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)(C)C

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)(C)C

InChI

InChI=1S/C26H35N3S2/c1-19(18-28-15-7-8-16-28)29-21-9-5-6-10-23(21)31-24-12-11-20(17-22(24)29)25(30)27-14-13-26(2,3)4/h5-6,9-12,17,19H,7-8,13-16,18H2,1-4H3,(H,27,30)