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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)C1=O)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3O2)/C1=O)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H25N3O3S/c1-15-13-18(14-19(22(15)30)24-28-20-7-5-6-8-21(20)32-24)27-25(33)29-23(31)16-9-11-17(12-10-16)26(2,3)4/h5-14,28H,1-4H3,(H2,27,29,31,33)/b24-19+