3-nitro-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Openeye Name: N-[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-14(20(26)23-17-9-11-22-12-10-17)30-19-7-5-16(6-8-19)24-21(27)15-3-2-4-18(13-15)25(28)29/h2-14H,1H3,(H,24,27)(H,22,23,26)