1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-methyl-3-pyridin-2-yl-phenyl)urea

Systemtic Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-methyl-3-pyridin-2-yl-phenyl)urea Openeye Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]-3-[4-methyl-3-(2-pyridyl)phenyl]urea CAS Name: 1-[5-tert-butyl-3-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]-3-[4-methyl-3-(2-pyridinyl)phenyl]urea IUPAC Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-2-ylphenyl)urea Traditional Name: 1-[5-tert-butyl-3-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-thienyl]-3-[4-methyl-3-(2-pyridyl)phenyl]urea Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(S2)C(C)(C)C)C(=O)N3CCNC(=O)C3(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(S2)C(C)(C)C)C(=O)N3CCNC(=O)C3(C)C)C4=CC=CC=N4

InChI

InChI=1S/C28H33N5O3S/c1-17-10-11-18(15-19(17)21-9-7-8-12-29-21)31-26(36)32-23-20(16-22(37-23)27(2,3)4)24(34)33-14-13-30-25(35)28(33,5)6/h7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36)