N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]propanamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]propanamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]propanamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-5-18(24)23-20(27)22-15-10-13(6-7-16(15)25-4)19-21-14-8-11(2)12(3)9-17(14)26-19/h6-10H,5H2,1-4H3,(H2,22,23,24,27)