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

Systemtic Name: N-tert-butyl-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-tert-butyl-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-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-tert-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-19(2,3)21-17(25)23-10-7-11-24(13-12-23)18-20-16(22-26-18)14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,21,25)