3-methyl-6-[3-[(phenylmethyl)amino]propyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-methyl-6-[3-[(phenylmethyl)amino]propyl]-1,3-benzothiazol-2-one Openeye Name: 6-[3-(benzylamino)propyl]-3-methyl-1,3-benzothiazol-2-one CAS Name: 3-methyl-6-[3-[(phenylmethyl)amino]propyl]-1,3-benzothiazol-2-one IUPAC Name: 6-[3-(benzylamino)propyl]-3-methyl-1,3-benzothiazol-2-one Traditional Name: 6-[3-(benzylamino)propyl]-3-methyl-1,3-benzothiazol-2-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCNCC3=CC=CC=C3)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCNCC3=CC=CC=C3)SC1=O

InChI

InChI=1S/C18H20N2OS/c1-20-16-10-9-14(12-17(16)22-18(20)21)8-5-11-19-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13H2,1H3