N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O2S/c1-16-9-11-18(12-10-16)24(30)29-26(32)27-20-7-4-6-19(15-20)25-28-23-21-8-3-2-5-17(21)13-14-22(23)31-25/h2-15H,1H3,(H2,27,29,30,32)