S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H19N3O5S/c1-29-19-11-10-15(13-20(19)30-2)22(27)32-26-23(28)24-16-7-5-6-14(12-16)21-25-17-8-3-4-9-18(17)31-21/h3-13H,1-2H3,(H2,24,26,28)