1-[5-tert-butyl-2-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-3-yl]-3-methyl-urea

Systemtic Name: 1-[5-tert-butyl-2-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-3-yl]-3-methyl-urea Openeye Name: 1-[5-tert-butyl-2-(5-oxo-1,4-diazepane-1-carbonyl)-3-thienyl]-3-methyl-urea CAS Name: 1-[5-tert-butyl-2-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-3-thiophenyl]-3-methylurea IUPAC Name: 1-[5-tert-butyl-2-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-3-yl]-3-methylurea Traditional Name: 1-[5-tert-butyl-2-(5-keto-1,4-diazepane-1-carbonyl)-3-thienyl]-3-methyl-urea Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCC(=O)NCC2)NC(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCC(=O)NCC2)NC(=O)NC

InChI

InChI=1S/C16H24N4O3S/c1-16(2,3)11-9-10(19-15(23)17-4)13(24-11)14(22)20-7-5-12(21)18-6-8-20/h9H,5-8H2,1-4H3,(H,18,21)(H2,17,19,23)