N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H19N3O2S2 MolecularWeight: 469.57796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O2S2/c1-31-22-14-13-17(25-27-20-11-4-5-12-23(20)33-25)15-21(22)28-26(32)29-24(30)19-10-6-8-16-7-2-3-9-18(16)19/h2-15H,1H3,(H2,28,29,30,32)