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

Systemtic Name: 4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-isopropylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5OS/c1-18(2)20-9-11-21(12-10-20)25-23(30)28-13-6-14-29(16-15-28)24-26-22(27-31-24)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3,(H,25,30)