5-chloranyl-2-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 5-chloro-N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC)/O2

InChI

InChI=1S/C23H18ClN3O4S/c1-12-3-6-17-20(9-12)31-22(26-17)15-11-14(5-7-18(15)28)25-23(32)27-21(29)16-10-13(24)4-8-19(16)30-2/h3-11,26H,1-2H3,(H2,25,27,29,32)/b22-15+