1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-[3-(6-ethynylpyridin-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-ethynylpyridin-3-yl)-4-methyl-phenyl]urea Openeye Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]-3-[3-(6-ethynyl-3-pyridyl)-4-methyl-phenyl]urea CAS Name: 1-[5-tert-butyl-3-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]-3-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea IUPAC Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethynylpyridin-3-yl)-4-methylphenyl]urea Traditional Name: 1-[5-tert-butyl-3-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-thienyl]-3-[3-(6-ethynyl-3-pyridyl)-4-methyl-phenyl]urea Formula: C30H33N5O3S MolecularWeight: 543.67972

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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#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#C

InChI

InChI=1S/C30H33N5O3S/c1-8-20-12-10-19(17-32-20)22-15-21(11-9-18(22)2)33-28(38)34-25-23(16-24(39-25)29(3,4)5)26(36)35-14-13-31-27(37)30(35,6)7/h1,9-12,15-17H,13-14H2,2-7H3,(H,31,37)(H2,33,34,38)