N-(2-methoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-29-19-11-6-5-10-18(19)23-21(28)26-12-7-13-27(15-14-26)22-24-20(25-30-22)16-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H,23,28)