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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CN=C(C=C2)OC)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CN=C(C=C2)OC)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C

InChI

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