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

Systemtic Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C25H23N3O3S/c1-15(2)16-7-9-17(10-8-16)23(29)28-25(32)26-19-6-4-5-18(13-19)24-27-21-14-20(30-3)11-12-22(21)31-24/h4-15H,1-3H3,(H2,26,28,29,32)