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

Systemtic Name: N-[[(3E)-3-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[(3E)-3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-naphthamide Formula: C25H16ClN3O3S MolecularWeight: 473.93084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC(=C4NC5=C(O4)C=CC(=C5)Cl)C(=O)C=C3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C/C(=C\4/NC5=C(O4)C=CC(=C5)Cl)/C(=O)C=C3

InChI

InChI=1S/C25H16ClN3O3S/c26-17-7-10-22-20(12-17)28-24(32-22)19-13-18(8-9-21(19)30)27-25(33)29-23(31)16-6-5-14-3-1-2-4-15(14)11-16/h1-13,28H,(H2,27,29,31,33)/b24-19+