N-[3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]hydrazinyl]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]hydrazinyl]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazo]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[N'-[2-(1,3-benzoxazol-2-ylthio)acetyl]hydrazino]-3-keto-propyl]-2-methyl-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20N4O4S/c1-13-6-2-3-7-14(13)19(27)21-11-10-17(25)23-24-18(26)12-29-20-22-15-8-4-5-9-16(15)28-20/h2-9H,10-12H2,1H3,(H,21,27)(H,23,25)(H,24,26)