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

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-14(2)30-17-5-3-4-15(12-17)20(26)23-21(31)22-16-6-7-18(19(13-16)25(27)28)24-8-10-29-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23,26,31)