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

Systemtic Name: S-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-13-2-11-19-18(12-13)24-20(31-19)14-3-7-16(8-4-14)23-22(28)25-32-21(27)15-5-9-17(10-6-15)26(29)30/h2-12H,1H3,(H2,23,25,28)