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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

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