3-chloranyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H18ClN3O3S2 MolecularWeight: 508.01172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)N2

InChI

InChI=1S/C25H18ClN3O3S2/c1-2-13-7-10-19-17(11-13)28-24(32-19)16-12-14(8-9-18(16)30)27-25(33)29-23(31)22-21(26)15-5-3-4-6-20(15)34-22/h3-12,28H,2H2,1H3,(H2,27,29,31,33)