3-(2-methylpropyl)-4-octyl-1,3-benzothiazol-2-one

Systemtic Name: 3-(2-methylpropyl)-4-octyl-1,3-benzothiazol-2-one Openeye Name: 3-isobutyl-4-octyl-1,3-benzothiazol-2-one CAS Name: 3-(2-methylpropyl)-4-octyl-1,3-benzothiazol-2-one IUPAC Name: 3-(2-methylpropyl)-4-octyl-1,3-benzothiazol-2-one Traditional Name: 3-isobutyl-4-octyl-1,3-benzothiazol-2-one Formula: C19H29NOS MolecularWeight: 319.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC=C1)SC(=O)N2CC(C)C

Isomeric SMILES

CCCCCCCCC1=C2C(=CC=C1)SC(=O)N2CC(C)C

InChI

InChI=1S/C19H29NOS/c1-4-5-6-7-8-9-11-16-12-10-13-17-18(16)20(14-15(2)3)19(21)22-17/h10,12-13,15H,4-9,11,14H2,1-3H3