3-(2-azanylethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-(2-azanylethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one Openeye Name: 3-(2-aminoethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one CAS Name: 3-(2-aminoethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-(2-aminoethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one Traditional Name: 3-(2-aminoethyl)-4-[3-[2-(phenethylamino)ethylsulfonyl]propyl]-1,3-benzothiazol-2-one Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCS(=O)(=O)CCCC2=C3C(=CC=C2)SC(=O)N3CCN

Isomeric SMILES

C1=CC=C(C=C1)CCNCCS(=O)(=O)CCCC2=C3C(=CC=C2)SC(=O)N3CCN

InChI

InChI=1S/C22H29N3O3S2/c23-12-15-25-21-19(8-4-10-20(21)29-22(25)26)9-5-16-30(27,28)17-14-24-13-11-18-6-2-1-3-7-18/h1-4,6-8,10,24H,5,9,11-17,23H2