N-[(4-acetamidophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H21N5O5S/c1-13(26)21-14-2-4-15(5-3-14)22-20(31)23-19(27)17-12-16(25(28)29)6-7-18(17)24-8-10-30-11-9-24/h2-7,12H,8-11H2,1H3,(H,21,26)(H2,22,23,27,31)