N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C26H19N3O2S2 MolecularWeight: 469.57796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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