S-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate

Systemtic Name: S-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C23H18N4O7S MolecularWeight: 494.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H18N4O7S/c1-32-19-9-5-14(11-20(19)33-2)21-25-17-12-15(6-10-18(17)34-21)24-23(29)26-35-22(28)13-3-7-16(8-4-13)27(30)31/h3-12H,1-2H3,(H2,24,26,29)