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

Systemtic Name: N-[[(3E)-3-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)Cl)C(=O)C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)Cl)/C(=O)C=C2

InChI

InChI=1S/C23H18ClN3O3S/c1-2-13-3-5-14(6-4-13)21(29)27-23(31)25-16-8-9-19(28)17(12-16)22-26-18-11-15(24)7-10-20(18)30-22/h3-12,26H,2H2,1H3,(H2,25,27,29,31)/b22-17+