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

Systemtic Name: S-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)NSC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)NSC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H25N3O6S/c1-5-15-9-10-20-19(11-15)28-24(35-20)16-7-6-8-18(12-16)27-26(31)29-36-25(30)17-13-21(32-2)23(34-4)22(14-17)33-3/h6-14H,5H2,1-4H3,(H2,27,29,31)