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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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