3-(4-azanylbutyl)-4-(phenylmethyl)-1,3-benzothiazol-2-one

Systemtic Name: 3-(4-azanylbutyl)-4-(phenylmethyl)-1,3-benzothiazol-2-one Openeye Name: 3-(4-aminobutyl)-4-benzyl-1,3-benzothiazol-2-one CAS Name: 3-(4-aminobutyl)-4-(phenylmethyl)-1,3-benzothiazol-2-one IUPAC Name: 3-(4-aminobutyl)-4-benzyl-1,3-benzothiazol-2-one Traditional Name: 3-(4-aminobutyl)-4-benzyl-1,3-benzothiazol-2-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=CC=C2)SC(=O)N3CCCCN

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=CC=C2)SC(=O)N3CCCCN

InChI

InChI=1S/C18H20N2OS/c19-11-4-5-12-20-17-15(13-14-7-2-1-3-8-14)9-6-10-16(17)22-18(20)21/h1-3,6-10H,4-5,11-13,19H2