N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C25H16BrN3O2S MolecularWeight: 502.38244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H16BrN3O2S/c26-17-8-3-7-16(13-17)24-28-21-14-18(11-12-22(21)31-24)27-25(32)29-23(30)20-10-4-6-15-5-1-2-9-19(15)20/h1-14H,(H2,27,29,30,32)