N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=O)C(=C2NC3=CC=CC=C3O2)C=C1

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=O)C(=C2NC3=CC=CC=C3O2)C=C1

InChI

InChI=1S/C19H19N3O3S/c1-11(2)9-17(24)22-19(26)20-12-7-8-13(15(23)10-12)18-21-14-5-3-4-6-16(14)25-18/h3-8,10-11,21H,9H2,1-2H3,(H2,20,22,24,26)