4-[(2-methylphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(o-tolylmethyl)-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(2-methylphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-methylbenzyl)-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)NC3=NN=CS3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)NC3=NN=CS3

InChI

InChI=1S/C16H21N5OS/c1-13-5-2-3-6-14(13)11-20-7-4-8-21(10-9-20)16(22)18-15-19-17-12-23-15/h2-3,5-6,12H,4,7-11H2,1H3,(H,18,19,22)