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

Systemtic Name: 5-chloranyl-N-[[(3E)-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-1-naphthamide Formula: C28H22ClN3O3S MolecularWeight: 516.01058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl)/N2

InChI

InChI=1S/C28H22ClN3O3S/c1-15(2)16-9-12-25-23(13-16)31-27(35-25)21-14-17(10-11-24(21)33)30-28(36)32-26(34)20-7-3-6-19-18(20)5-4-8-22(19)29/h3-15,31H,1-2H3,(H2,30,32,34,36)/b27-21+