2-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2-allylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindoline-1,3-dione CAS Name: 2-[[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Traditional Name: 2-[[[2-(allylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindoline-1,3-quinone Formula: C19H15N3O2S2 MolecularWeight: 381.4713

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H15N3O2S2/c1-2-9-25-19-21-15-8-7-12(10-16(15)26-19)20-11-22-17(23)13-5-3-4-6-14(13)18(22)24/h2-8,10,20H,1,9,11H2