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

Systemtic Name: S-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[[oxo-[(2-phenyl-1,3-benzoxazol-5-yl)amino]methyl]amino] ester IUPAC Name: S-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[(2-phenyl-1,3-benzoxazol-5-yl)carbamoylamino] ester Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O6S/c1-30-19-11-15(12-20(31-2)21(19)32-3)23(28)34-27-24(29)25-16-9-10-18-17(13-16)26-22(33-18)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,25,27,29)