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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4O3)/C=C2

InChI

InChI=1S/C22H17N3O4S/c1-28-18-8-4-2-6-15(18)20(27)25-22(30)23-13-10-11-14(17(26)12-13)21-24-16-7-3-5-9-19(16)29-21/h2-12,24H,1H3,(H2,23,25,27,30)/b21-14+