N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=NC2=C(O1)C=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=NC2=C(O1)C=C(C=C2)NC(=O)C

InChI

InChI=1S/C15H18N4O3S/c1-8(2)6-13(21)18-15(23)19-14-17-11-5-4-10(16-9(3)20)7-12(11)22-14/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H2,17,18,19,21,23)