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

Systemtic Name: S-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C22H16N4O6S MolecularWeight: 464.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O6S/c1-31-17-4-2-3-14(11-17)20-24-18-12-15(7-10-19(18)32-20)23-22(28)25-33-21(27)13-5-8-16(9-6-13)26(29)30/h2-12H,1H3,(H2,23,25,28)