N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-14(2)15-3-5-16(6-4-15)20(26)23-21(30)22-17-7-8-18(19(13-17)25(27)28)24-9-11-29-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,26,30)