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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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