1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-m-anisyl-1,4-diazepan-5-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-26-17-6-4-5-16(13-17)14-24-12-11-23(10-9-21(24)25)15-20-22-18-7-2-3-8-19(18)27-20/h2-8,13H,9-12,14-15H2,1H3