5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole Openeye Name: 3-benzyl-5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 3-benzyl-5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole Traditional Name: 3-benzyl-5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C24H30N4O2S2 MolecularWeight: 470.6506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S2/c1-24(2,3)20-10-12-21(13-11-20)32(29,30)28-15-7-14-27(16-17-28)23-25-22(26-31-23)18-19-8-5-4-6-9-19/h4-6,8-13H,7,14-18H2,1-3H3