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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)C1=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3O2)/C1=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

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