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

Systemtic Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-1-naphthamide Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54)N2

InChI

InChI=1S/C26H19N3O3S/c1-15-9-12-23-21(13-15)28-25(32-23)20-11-10-17(14-22(20)30)27-26(33)29-24(31)19-8-4-6-16-5-2-3-7-18(16)19/h2-14,28H,1H3,(H2,27,29,31,33)