N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromanyl-2-chloranyl-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-chloranyl-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-chloro-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-chlorobenzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-bromo-2-chlorobenzamide 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-chloro-benzamide Formula: C22H15BrClN3O3S MolecularWeight: 516.7948

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClN3O3S/c1-11-8-13(25-22(31)27-20(29)14-9-12(23)6-7-16(14)24)10-15(19(11)28)21-26-17-4-2-3-5-18(17)30-21/h2-10,26H,1H3,(H2,25,27,29,31)/b21-15+