(E)-but-2-enedioic acid; N-(cyclobutylmethyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide

Systemtic Name: (E)-but-2-enedioic acid; N-(cyclobutylmethyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Openeye Name: N-(cyclobutylmethyl)-10-(1-methyl-2-pyrrolidin-1-yl-ethyl)phenothiazine-2-carbothioamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(cyclobutylmethyl)-10-[1-(1-pyrrolidinyl)propan-2-yl]-2-phenothiazinecarbothioamide IUPAC Name: (E)-but-2-enedioic acid; N-(cyclobutylmethyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide Traditional Name: N-(cyclobutylmethyl)-10-(1-methyl-2-pyrrolidino-ethyl)phenothiazine-2-carbothioamide; fumaric acid Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5CCC5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5CCC5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H31N3S2.C4H4O4/c1-18(17-27-13-4-5-14-27)28-21-9-2-3-10-23(21)30-24-12-11-20(15-22(24)28)25(29)26-16-19-7-6-8-19;5-3(6)1-2-4(7)8/h2-3,9-12,15,18-19H,4-8,13-14,16-17H2,1H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+