N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC(=CC(=C4O3)C)C)C(=O)C=C2

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC(=CC(=C4O3)C)C)/C(=O)C=C2

InChI

InChI=1S/C26H25N3O4S/c1-4-10-32-19-7-5-6-17(13-19)24(31)29-26(34)27-18-8-9-22(30)20(14-18)25-28-21-12-15(2)11-16(3)23(21)33-25/h5-9,11-14,28H,4,10H2,1-3H3,(H2,27,29,31,34)/b25-20+