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

Systemtic Name: N-(2-ethylphenyl)-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-ethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethylphenyl)-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-ethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-2-19-11-6-7-12-20(19)24-22(29)27-13-8-14-28(16-15-27)23-25-21(26-30-23)17-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3,(H,24,29)