S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H18N4O6S MolecularWeight: 478.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18N4O6S/c1-13-15(21-24-17-7-3-4-9-19(17)33-21)6-5-8-16(13)25-23(29)26-34-22(28)14-10-11-20(32-2)18(12-14)27(30)31/h3-12H,1-2H3,(H2,25,26,29)