3-(2-azanylethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-(2-azanylethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one Openeye Name: 3-(2-aminoethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one CAS Name: 3-(2-aminoethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one IUPAC Name: 3-(2-aminoethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one Traditional Name: 3-(2-aminoethyl)-4-[6-[2-(4-nitrophenyl)ethoxy]hexyl]-1,3-benzothiazol-2-one Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=O)N2CCN)CCCCCCOCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=O)N2CCN)CCCCCCOCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4S/c24-14-15-25-22-19(7-5-8-21(22)31-23(25)27)6-3-1-2-4-16-30-17-13-18-9-11-20(12-10-18)26(28)29/h5,7-12H,1-4,6,13-17,24H2