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

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C22H15BrClN3O3S MolecularWeight: 516.7948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)Cl

InChI

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