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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O2S/c1-16-10-11-19(14-17(16)2)25(31)30-27(33)28-21-8-5-7-20(15-21)26-29-24-22-9-4-3-6-18(22)12-13-23(24)32-26/h3-15H,1-2H3,(H2,28,30,31,33)