N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)O2)C

InChI

InChI=1S/C25H23N3O5S/c1-13-10-14(2)22-17(11-13)27-24(33-22)16-12-15(8-9-18(16)29)26-25(34)28-23(30)21-19(31-3)6-5-7-20(21)32-4/h5-12,27H,1-4H3,(H2,26,28,30,34)