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

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C22H16BrN3O4S MolecularWeight: 498.34914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O4S/c1-29-18-9-6-12(10-15(18)23)20(28)26-22(31)24-13-7-8-14(17(27)11-13)21-25-16-4-2-3-5-19(16)30-21/h2-11,25H,1H3,(H2,24,26,28,31)