N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

InChI

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