N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O4S/c1-4-5-18(24)23-20(28)21-13-7-9-15-14(11-13)22-19(27-15)12-6-8-16(25-2)17(10-12)26-3/h6-11H,4-5H2,1-3H3,(H2,21,23,24,28)