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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-p-anisyl-1,4-diazepane-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S/c1-27-17-9-7-16(8-10-17)15-24-11-4-12-25(14-13-24)21(26)23-20-22-18-5-2-3-6-19(18)28-20/h2-3,5-10H,4,11-15H2,1H3,(H,22,23,26)