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

Systemtic Name: S-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C24H20ClN3O6S MolecularWeight: 513.9501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C24H20ClN3O6S/c1-31-19-10-14(11-20(32-2)21(19)33-3)23(29)35-28-24(30)26-16-7-4-13(5-8-16)22-27-17-12-15(25)6-9-18(17)34-22/h4-12H,1-3H3,(H2,26,28,30)