4-[2-(phenylmethyl)-2H-1,3-benzothiazol-3-yl]butan-2-one

Systemtic Name: 4-[2-(phenylmethyl)-2H-1,3-benzothiazol-3-yl]butan-2-one Openeye Name: 4-(2-benzyl-2H-1,3-benzothiazol-3-yl)butan-2-one CAS Name: 4-[2-(phenylmethyl)-2H-1,3-benzothiazol-3-yl]-2-butanone IUPAC Name: 4-(2-benzyl-2H-1,3-benzothiazol-3-yl)butan-2-one Traditional Name: 4-(2-benzyl-2H-1,3-benzothiazol-3-yl)butan-2-one Formula: C18H19NOS MolecularWeight: 297.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(SC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCN1C(SC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NOS/c1-14(20)11-12-19-16-9-5-6-10-17(16)21-18(19)13-15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3