N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide

Systemtic Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O2S/c1-2-6-20(26)25-22(28)23-15-11-12-19-18(13-15)24-21(27-19)17-10-5-8-14-7-3-4-9-16(14)17/h3-5,7-13H,2,6H2,1H3,(H2,23,25,26,28)