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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C26H18ClN3O2S MolecularWeight: 471.95802

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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)Cl

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)Cl

InChI

InChI=1S/C26H18ClN3O2S/c1-15-9-10-17(14-21(15)27)24(31)30-26(33)28-19-7-4-6-18(13-19)25-29-23-20-8-3-2-5-16(20)11-12-22(23)32-25/h2-14H,1H3,(H2,28,30,31,33)