ethanedioic acid; [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone Openeye Name: [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone; oxalic acid CAS Name: [10-[4-(4-methyl-1-piperazinyl)butyl]-2-phenothiazinyl]-phenylmethanone; oxalic acid IUPAC Name: [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenylmethanone; oxalic acid Traditional Name: [10-[4-(4-methylpiperazino)butyl]phenothiazin-2-yl]-phenyl-methanone; oxalic acid Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3OS.C2H2O4/c1-29-17-19-30(20-18-29)15-7-8-16-31-24-11-5-6-12-26(24)33-27-14-13-23(21-25(27)31)28(32)22-9-3-2-4-10-22;3-1(4)2(5)6/h2-6,9-14,21H,7-8,15-20H2,1H3;(H,3,4)(H,5,6)