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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2

InChI

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