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

Systemtic Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)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=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)OC

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)OC

InChI

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