1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]hexan-1-one

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]hexan-1-one CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]hexan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-2-3-5-11-19(25)23-12-8-13-24(15-14-23)20-21-18(22-26-20)16-17-9-6-4-7-10-17/h4,6-7,9-10H,2-3,5,8,11-16H2,1H3