2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C16H16N4O3S2/c1-2-9-24-16-19-18-15(25-16)17-13(21)10-20-11-5-3-4-6-12(11)23-8-7-14(20)22/h2-6H,1,7-10H2,(H,17,18,21)