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

Systemtic Name: 4-[4-[[5-tert-butyl-3-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[4-[[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[4-[[[[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thiophenyl]amino]-oxomethyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[4-[[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[4-[[5-tert-butyl-3-(5-keto-1,4-diazepane-1-carbonyl)-2-thienyl]carbamoylamino]phenoxy]-N-methyl-picolinamide Formula: C28H32N6O5S MolecularWeight: 564.65588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)C(=O)N4CCC(=O)NCC4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)C(=O)N4CCC(=O)NCC4

InChI

InChI=1S/C28H32N6O5S/c1-28(2,3)22-16-20(26(37)34-13-10-23(35)31-12-14-34)25(40-22)33-27(38)32-17-5-7-18(8-6-17)39-19-9-11-30-21(15-19)24(36)29-4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H,29,36)(H,31,35)(H2,32,33,38)