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

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N4O3S/c1-11(2)13-4-6-14(7-5-13)18(26)23-20(28)24-19-22-16-9-8-15(21-12(3)25)10-17(16)27-19/h4-11H,1-3H3,(H,21,25)(H2,22,23,24,26,28)