3-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)/O2

InChI

InChI=1S/C27H21N3O4S/c1-15-7-9-21-24(11-15)34-26(29-21)19-14-18(8-10-22(19)31)28-27(35)30-25(32)20-12-16-5-3-4-6-17(16)13-23(20)33-2/h3-14,29H,1-2H3,(H2,28,30,32,35)/b26-19+