1-[4-[3-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]propoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]propoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-[(6-amino-1,3-benzothiazol-2-yl)thio]propoxy]-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]propoxy]-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-[3-[(6-amino-1,3-benzothiazol-2-yl)thio]propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C21H24N2O3S2/c1-2-4-15-11-14(18(25)13-24)5-8-19(15)26-9-3-10-27-21-23-17-7-6-16(22)12-20(17)28-21/h5-8,11-12,24H,2-4,9-10,13,22H2,1H3