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

Systemtic Name: 1-[5-tert-butyl-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-cyanonaphthalen-1-yl)urea Openeye Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)-2-thienyl]-3-(4-cyano-1-naphthyl)urea CAS Name: 1-[5-tert-butyl-3-[oxo-(3-oxo-1-piperazinyl)methyl]-2-thiophenyl]-3-(4-cyano-1-naphthalenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-cyanonaphthalen-1-yl)urea Traditional Name: 1-[5-tert-butyl-3-(3-ketopiperazine-1-carbonyl)-2-thienyl]-3-(4-cyano-1-naphthyl)urea Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#N)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#N)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C25H25N5O3S/c1-25(2,3)20-12-18(23(32)30-11-10-27-21(31)14-30)22(34-20)29-24(33)28-19-9-8-15(13-26)16-6-4-5-7-17(16)19/h4-9,12H,10-11,14H2,1-3H3,(H,27,31)(H2,28,29,33)