N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H21N3O3S/c1-12(2)10-18(24)23-20(27)22-15-11-13(8-9-16(15)25-3)19-21-14-6-4-5-7-17(14)26-19/h4-9,11-12H,10H2,1-3H3,(H2,22,23,24,27)