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

Systemtic Name: 1-[5-tert-butyl-3-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]-3-(2-chloranyl-4-cyano-phenyl)urea Openeye Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(2-chloro-4-cyano-phenyl)urea CAS Name: 1-[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thiophenyl]-3-(2-chloro-4-cyanophenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2-chloro-4-cyanophenyl)urea Traditional Name: 1-[5-tert-butyl-3-(5-keto-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(2-chloro-4-cyano-phenyl)urea Formula: C22H24ClN5O3S MolecularWeight: 473.97566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=C(C=C(C=C2)C#N)Cl)C(=O)N3CCC(=O)NCC3

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=C(C=C(C=C2)C#N)Cl)C(=O)N3CCC(=O)NCC3

InChI

InChI=1S/C22H24ClN5O3S/c1-22(2,3)17-11-14(20(30)28-8-6-18(29)25-7-9-28)19(32-17)27-21(31)26-16-5-4-13(12-24)10-15(16)23/h4-5,10-11H,6-9H2,1-3H3,(H,25,29)(H2,26,27,31)