ethanedioic acid; 2-(2-methylpropylamino)-1-phenothiazin-10-yl-ethanone

Systemtic Name: ethanedioic acid; 2-(2-methylpropylamino)-1-phenothiazin-10-yl-ethanone Openeye Name: 2-(isobutylamino)-1-phenothiazin-10-yl-ethanone; oxalic acid CAS Name: 2-(2-methylpropylamino)-1-(10-phenothiazinyl)ethanone; oxalic acid IUPAC Name: 2-(2-methylpropylamino)-1-phenothiazin-10-ylethanone; oxalic acid Traditional Name: 2-(isobutylamino)-1-phenothiazin-10-yl-ethanone; oxalic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2OS.C2H2O4/c1-13(2)11-19-12-18(21)20-14-7-3-5-9-16(14)22-17-10-6-4-8-15(17)20;3-1(4)2(5)6/h3-10,13,19H,11-12H2,1-2H3;(H,3,4)(H,5,6)