2-[1,4-diazepan-1-yl-(3-ethoxyphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-ethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(3-ethoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-ethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-ethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(m-phenetyl)methyl]-1,3-benzothiazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H25N3OS/c1-2-25-17-8-5-7-16(15-17)20(24-13-6-11-22-12-14-24)21-23-18-9-3-4-10-19(18)26-21/h3-5,7-10,15,20,22H,2,6,11-14H2,1H3