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

Systemtic Name: 3-chloranyl-N-[3-[1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[3-[1-(4-pyridylcarbamoyl)propylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[1-oxo-1-(pyridin-4-ylamino)butan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[1-oxo-1-(pyridin-4-ylamino)butan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-[1-(4-pyridylcarbamoyl)propylthio]phenyl]benzamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=NC=C1)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=NC=C1)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-2-20(22(28)25-17-9-11-24-12-10-17)29-19-8-4-7-18(14-19)26-21(27)15-5-3-6-16(23)13-15/h3-14,20H,2H2,1H3,(H,26,27)(H,24,25,28)