4-[4-[[5-tert-butyl-2-(2-oxidanylidenepiperazin-1-yl)carbonyl-thiophen-3-yl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[4-[[5-tert-butyl-2-(2-oxidanylidenepiperazin-1-yl)carbonyl-thiophen-3-yl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[4-[[5-tert-butyl-2-(2-oxopiperazine-1-carbonyl)-3-thienyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[4-[[[[5-tert-butyl-2-[oxo-(2-oxo-1-piperazinyl)methyl]-3-thiophenyl]amino]-oxomethyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[4-[[5-tert-butyl-2-(2-oxopiperazine-1-carbonyl)thiophen-3-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[4-[[5-tert-butyl-2-(2-ketopiperazine-1-carbonyl)-3-thienyl]carbamoylamino]phenoxy]-N-methyl-picolinamide Formula: C27H30N6O5S MolecularWeight: 550.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCNCC2=O)NC(=O)NC3=CC=C(C=C3)OC4=CC(=NC=C4)C(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCNCC2=O)NC(=O)NC3=CC=C(C=C3)OC4=CC(=NC=C4)C(=O)NC

InChI

InChI=1S/C27H30N6O5S/c1-27(2,3)21-14-19(23(39-21)25(36)33-12-11-29-15-22(33)34)32-26(37)31-16-5-7-17(8-6-16)38-18-9-10-30-20(13-18)24(35)28-4/h5-10,13-14,29H,11-12,15H2,1-4H3,(H,28,35)(H2,31,32,37)