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

Systemtic Name: 3-butoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)CC)C(=O)C(=C2)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)CC)C(=O)C(=C2)C

InChI

InChI=1S/C28H29N3O4S/c1-4-6-12-34-21-9-7-8-19(15-21)26(33)31-28(36)29-20-13-17(3)25(32)22(16-20)27-30-23-14-18(5-2)10-11-24(23)35-27/h7-11,13-16,30H,4-6,12H2,1-3H3,(H2,29,31,33,36)