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

Systemtic Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC(=CC(=C4O3)C)C)C(=O)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC(=CC(=C4O3)C)C)C(=O)C=C2)C

InChI

InChI=1S/C25H23N3O3S/c1-13-7-14(2)10-17(9-13)23(30)28-25(32)26-18-5-6-21(29)19(12-18)24-27-20-11-15(3)8-16(4)22(20)31-24/h5-12,27H,1-4H3,(H2,26,28,30,32)