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

Systemtic Name: 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-3-yl]-3-[3-(6-methoxypyridin-3-yl)-4-methyl-phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-3-thienyl]-3-[3-(6-methoxy-3-pyridyl)-4-methyl-phenyl]urea CAS Name: 1-[5-tert-butyl-2-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-3-thiophenyl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxypyridin-3-yl)-4-methylphenyl]urea Traditional Name: 1-[5-tert-butyl-2-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-3-thienyl]-3-[3-(6-methoxy-3-pyridyl)-4-methyl-phenyl]urea Formula: C29H35N5O4S MolecularWeight: 549.6843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)N3CCNC(=O)C3(C)C)C4=CN=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)N3CCNC(=O)C3(C)C)C4=CN=C(C=C4)OC

InChI

InChI=1S/C29H35N5O4S/c1-17-8-10-19(14-20(17)18-9-11-23(38-7)31-16-18)32-27(37)33-21-15-22(28(2,3)4)39-24(21)25(35)34-13-12-30-26(36)29(34,5)6/h8-11,14-16H,12-13H2,1-7H3,(H,30,36)(H2,32,33,37)