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

Systemtic Name: 3,5-dimethyl-N-[[(4E)-3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: 3,5-dimethyl-N-[[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)C(C)C)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=C(O3)C=CC(=C4)C(C)C)/C=C2)C

InChI

InChI=1S/C26H25N3O3S/c1-14(2)17-5-8-23-21(12-17)28-25(32-23)20-7-6-19(13-22(20)30)27-26(33)29-24(31)18-10-15(3)9-16(4)11-18/h5-14,28H,1-4H3,(H2,27,29,31,33)/b25-20+