6-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H16N4O3S2 MolecularWeight: 412.48534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3S2/c1-11(17(25)12-7-8-15-14(9-12)21-16(24)10-26-15)27-19-23-22-18(28-19)20-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,24)