S-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C23H18ClN3O5S MolecularWeight: 483.92412

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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=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C23H18ClN3O5S/c1-30-19-8-6-14(11-20(19)31-2)22(28)33-27-23(29)25-16-5-3-4-13(10-16)21-26-17-12-15(24)7-9-18(17)32-21/h3-12H,1-2H3,(H2,25,27,29)