5-(2-dimethylaminoethylamino)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzothiazole-4,7-dione

Systemtic Name: 5-(2-dimethylaminoethylamino)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzothiazole-4,7-dione Openeye Name: 5-(2-dimethylaminoethylamino)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzothiazole-4,7-dione CAS Name: 5-(2-dimethylaminoethylamino)-2-[(4-phenyl-1-piperazinyl)methyl]-1,3-benzothiazole-4,7-dione IUPAC Name: 5-(2-dimethylaminoethylamino)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzothiazole-4,7-dione Traditional Name: 5-(2-dimethylaminoethylamino)-2-[(4-phenylpiperazino)methyl]-1,3-benzothiazole-4,7-quinone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=CC(=O)C2=C(C1=O)N=C(S2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCNC1=CC(=O)C2=C(C1=O)N=C(S2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-25(2)9-8-23-17-14-18(28)22-20(21(17)29)24-19(30-22)15-26-10-12-27(13-11-26)16-6-4-3-5-7-16/h3-7,14,23H,8-13,15H2,1-2H3