N-[(2Z)-2-[6-oxidanylidene-4-(2-pyridin-2-ylsulfanylethanoylamino)cyclohexa-2,4-dien-1-ylidene]-3H-1,3-benzoxazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(2Z)-2-[6-oxidanylidene-4-(2-pyridin-2-ylsulfanylethanoylamino)cyclohexa-2,4-dien-1-ylidene]-3H-1,3-benzoxazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(2Z)-2-[6-oxo-4-[[2-(2-pyridylsulfanyl)acetyl]amino]cyclohexa-2,4-dien-1-ylidene]-3H-1,3-benzoxazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(2Z)-2-[6-oxo-4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-1-cyclohexa-2,4-dienylidene]-3H-1,3-benzoxazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(2Z)-2-[6-oxo-4-[(2-pyridin-2-ylsulfanylacetyl)amino]cyclohexa-2,4-dien-1-ylidene]-3H-1,3-benzoxazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(2Z)-2-[6-keto-4-[[2-(2-pyridylthio)acetyl]amino]cyclohexa-2,4-dien-1-ylidene]-3H-1,3-benzoxazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C27H21N5O4S2 MolecularWeight: 543.61674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=CC3=C(C=C2)NC(=C4C=CC(=CC4=O)NC(=O)CSC5=CC=CC=N5)O3

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=CC3=C(C=C2)N/C(=C/4\C=CC(=CC4=O)NC(=O)CSC5=CC=CC=N5)/O3

InChI

InChI=1S/C27H21N5O4S2/c33-21-13-17(30-23(34)15-37-25-5-1-3-11-28-25)7-9-19(21)27-32-20-10-8-18(14-22(20)36-27)31-24(35)16-38-26-6-2-4-12-29-26/h1-14,32H,15-16H2,(H,30,34)(H,31,35)/b27-19-