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

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-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)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

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