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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4O3)/C=C2)OC

InChI

InChI=1S/C23H18BrN3O4S/c1-12-9-13(24)10-16(20(12)30-2)21(29)27-23(32)25-14-7-8-15(18(28)11-14)22-26-17-5-3-4-6-19(17)31-22/h3-11,26H,1-2H3,(H2,25,27,29,32)/b22-15+