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

Systemtic Name: 2,2-dimethyl-N-[[(3E)-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Openeye Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]propanamide Traditional Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C(C)(C)C)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C(C)(C)C)/N2

InChI

InChI=1S/C22H25N3O3S/c1-12(2)13-6-9-18-16(10-13)24-19(28-18)15-11-14(7-8-17(15)26)23-21(29)25-20(27)22(3,4)5/h6-12,24H,1-5H3,(H2,23,25,27,29)/b19-15+