N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]propanamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]propanamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]propanamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]propanamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]propionamide Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC4=CC=CC=C43

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N3O2S/c1-2-18(25)23-21(27)22-15-8-5-7-14(12-15)20-24-19-16-9-4-3-6-13(16)10-11-17(19)26-20/h3-12H,2H2,1H3,(H2,22,23,25,27)