1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-ylpyridin-3-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-(6-propan-2-ylpyridin-3-yl)phenyl]urea Openeye Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]-3-[3-(6-isopropyl-3-pyridyl)-4-methyl-phenyl]urea CAS Name: 1-[5-tert-butyl-3-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea IUPAC Name: 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-ylpyridin-3-yl)phenyl]urea Traditional Name: 1-[5-tert-butyl-3-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-thienyl]-3-[3-(6-isopropyl-3-pyridyl)-4-methyl-phenyl]urea Formula: C31H39N5O3S MolecularWeight: 561.73806

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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)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)C

InChI

InChI=1S/C31H39N5O3S/c1-18(2)24-12-10-20(17-33-24)22-15-21(11-9-19(22)3)34-29(39)35-26-23(16-25(40-26)30(4,5)6)27(37)36-14-13-32-28(38)31(36,7)8/h9-12,15-18H,13-14H2,1-8H3,(H,32,38)(H2,34,35,39)