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

Systemtic Name: 1-[5-tert-butyl-3-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]-3-(3-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(3-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thiophenyl]-3-(3-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(3-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-3-(5-keto-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(3-chlorophenyl)urea Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c1-21(2,3)16-12-15(19(28)26-9-7-17(27)23-8-10-26)18(30-16)25-20(29)24-14-6-4-5-13(22)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,23,27)(H2,24,25,29)