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

Systemtic Name: 1-[5-tert-butyl-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)-2-thienyl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-3-[oxo-(3-oxo-1-piperazinyl)methyl]-2-thiophenyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-3-(3-ketopiperazine-1-carbonyl)-2-thienyl]-3-(4-chlorophenyl)urea Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)Cl)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)Cl)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C20H23ClN4O3S/c1-20(2,3)15-10-14(18(27)25-9-8-22-16(26)11-25)17(29-15)24-19(28)23-13-6-4-12(21)5-7-13/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H2,23,24,28)