3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S2/c1-14-19(27)25(16-9-5-6-10-17(16)28-14)12-11-18(26)22-20-23-24-21(30-20)29-13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,22,23,26)