4-[(4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-p-anisyl-1,4-diazepane-1-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-16-23-20-9-6-18(14-21(20)29-16)24-22(27)26-11-3-10-25(12-13-26)15-17-4-7-19(28-2)8-5-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)