N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S2/c1-31-16-5-2-14(3-6-16)17-13-34-22(23-17)25-21(33)24-20(28)15-4-7-18(19(12-15)27(29)30)26-8-10-32-11-9-26/h2-7,12-13H,8-11H2,1H3,(H2,23,24,25,28,33)