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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C24H20ClN3O4S MolecularWeight: 481.9513

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C=C4)C)C(=O)C=C2)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=C(C=C4)C)/C(=O)C=C2)Cl

InChI

InChI=1S/C24H20ClN3O4S/c1-3-31-20-9-5-14(11-17(20)25)22(30)28-24(33)26-15-6-8-19(29)16(12-15)23-27-18-7-4-13(2)10-21(18)32-23/h4-12,27H,3H2,1-2H3,(H2,26,28,30,33)/b23-16+