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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[5-tert-butyl-3-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thiophenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[5-tert-butyl-3-(5-keto-1,4-diazepane-1-carbonyl)-2-thienyl]urea Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)N4CCC(=O)NCC4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)N4CCC(=O)NCC4

InChI

InChI=1S/C22H26N4O5S/c1-22(2,3)17-11-14(20(28)26-8-6-18(27)23-7-9-26)19(32-17)25-21(29)24-13-4-5-15-16(10-13)31-12-30-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,27)(H2,24,25,29)