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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C23H15N3O2S2 MolecularWeight: 429.5141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H15N3O2S2/c27-21(19-9-4-12-30-19)26-23(29)24-16-7-3-6-15(13-16)22-25-20-17-8-2-1-5-14(17)10-11-18(20)28-22/h1-13H,(H2,24,26,27,29)