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

Systemtic Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino] ester Formula: C25H23N3O7S MolecularWeight: 509.53102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C25H23N3O7S/c1-31-18-10-9-14(23-26-16-7-5-6-8-19(16)35-23)11-17(18)27-25(30)28-36-24(29)15-12-20(32-2)22(34-4)21(13-15)33-3/h5-13H,1-4H3,(H2,27,28,30)