2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-butan-1-one

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-butan-1-one Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-yl-butan-1-one CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-(10-phenothiazinyl)-1-butanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-ylbutan-1-one Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-phenothiazin-10-yl-butan-1-one Formula: C25H22N2O2S3 MolecularWeight: 478.64938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(S4)C=C(C=C5)OCC

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(S4)C=C(C=C5)OCC

InChI

InChI=1S/C25H22N2O2S3/c1-3-20(31-25-26-17-14-13-16(29-4-2)15-23(17)32-25)24(28)27-18-9-5-7-11-21(18)30-22-12-8-6-10-19(22)27/h5-15,20H,3-4H2,1-2H3