1-[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-methoxy-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-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-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-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-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-3-(4-pyridyl)phenyl]urea Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC(=C(C=C3)OC)C4=CC=NC=C4)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC(=C(C=C3)OC)C4=CC=NC=C4)C

InChI

InChI=1S/C28H33N5O4S/c1-27(2,3)22-16-20(24(34)33-14-13-30-25(35)28(33,4)5)23(38-22)32-26(36)31-18-7-8-21(37-6)19(15-18)17-9-11-29-12-10-17/h7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36)