N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H23N3O2S/c1-15(2)17-8-10-18(11-9-17)23(29)28-25(31)26-20-6-4-5-19(14-20)24-27-21-13-16(3)7-12-22(21)30-24/h4-15H,1-3H3,(H2,26,28,29,31)