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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=NC=C2)OC)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=NC=C2)OC)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C

InChI

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