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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)Cl)C(=O)C=C2

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)Cl)/C(=O)C=C2

InChI

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