1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-[3-(6-ethanoylpyridin-3-yl)-4-methyl-phenyl]urea

Systemtic Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-[3-(6-ethanoylpyridin-3-yl)-4-methyl-phenyl]urea Openeye Name: 1-[3-(6-acetyl-3-pyridyl)-4-methyl-phenyl]-3-[5-tert-butyl-3-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]urea CAS Name: 1-[3-(6-acetyl-3-pyridinyl)-4-methylphenyl]-3-[5-tert-butyl-3-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]urea IUPAC Name: 1-[3-(6-acetylpyridin-3-yl)-4-methylphenyl]-3-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]urea Traditional Name: 1-[3-(6-acetyl-3-pyridyl)-4-methyl-phenyl]-3-[5-tert-butyl-3-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-thienyl]urea Formula: C30H35N5O4S MolecularWeight: 561.695

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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=CN=C(C=C4)C(=O)C

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=CN=C(C=C4)C(=O)C

InChI

InChI=1S/C30H35N5O4S/c1-17-8-10-20(14-21(17)19-9-11-23(18(2)36)32-16-19)33-28(39)34-25-22(15-24(40-25)29(3,4)5)26(37)35-13-12-31-27(38)30(35,6)7/h8-11,14-16H,12-13H2,1-7H3,(H,31,38)(H2,33,34,39)