N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

InChI

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