N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3C

InChI

InChI=1S/C18H17N3O2S/c1-3-16(22)21-18(24)19-12-8-9-15-14(10-12)20-17(23-15)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3,(H2,19,21,22,24)