1-[5-tert-butyl-3-(2-methyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-naphthalen-1-yl-urea

Systemtic Name: 1-[5-tert-butyl-3-(2-methyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-naphthalen-1-yl-urea Openeye Name: 1-[5-tert-butyl-3-(2-methyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]-3-(1-naphthyl)urea CAS Name: 1-[5-tert-butyl-3-[(2-methyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]-3-(1-naphthalenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(2-methyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-naphthalen-1-ylurea Traditional Name: 1-[5-tert-butyl-3-(3-keto-2-methyl-piperazine-1-carbonyl)-2-thienyl]-3-(1-naphthyl)urea Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O3S/c1-15-21(30)26-12-13-29(15)23(31)18-14-20(25(2,3)4)33-22(18)28-24(32)27-19-11-7-9-16-8-5-6-10-17(16)19/h5-11,14-15H,12-13H2,1-4H3,(H,26,30)(H2,27,28,32)