(Z)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-yl-ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-yl-ethanone Openeye Name: maleic acid; 2-(3-morpholinopropylamino)-1-phenothiazin-10-yl-ethanone CAS Name: (Z)-2-butenedioic acid; 2-[3-(4-morpholinyl)propylamino]-1-(10-phenothiazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-ylethanone Traditional Name: maleic acid; 2-(3-morpholinopropylamino)-1-phenothiazin-10-yl-ethanone Formula: C29H33N3O10S MolecularWeight: 615.65142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1N(CCOC1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25N3O2S.2C4H4O4/c25-21(16-22-10-5-11-23-12-14-26-15-13-23)24-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)24;2*5-3(6)1-2-4(7)8/h1-4,6-9,22H,5,10-16H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-