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

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]butanamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]butanamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]butanamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-6-19(25)24-21(28)23-16-11-14(7-8-17(16)26-4)20-22-15-9-12(2)13(3)10-18(15)27-20/h7-11H,5-6H2,1-4H3,(H2,23,24,25,28)