N-(4-chlorophenyl)-2-oxidanyl-2-(1H-perimidin-2-yl)propanethioamide

Systemtic Name: N-(4-chlorophenyl)-2-oxidanyl-2-(1H-perimidin-2-yl)propanethioamide Openeye Name: N-(4-chlorophenyl)-2-hydroxy-2-(1H-perimidin-2-yl)propanethioamide CAS Name: N-(4-chlorophenyl)-2-hydroxy-2-(1H-perimidin-2-yl)propanethioamide IUPAC Name: N-(4-chlorophenyl)-2-hydroxy-2-(1H-perimidin-2-yl)propanethioamide Traditional Name: N-(4-chlorophenyl)-2-hydroxy-2-(1H-perimidin-2-yl)thiopropionamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC3=C2C(=CC=C3)N1)(C(=S)NC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C1=NC2=CC=CC3=C2C(=CC=C3)N1)(C(=S)NC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C20H16ClN3OS/c1-20(25,19(26)22-14-10-8-13(21)9-11-14)18-23-15-6-2-4-12-5-3-7-16(24-18)17(12)15/h2-11,25H,1H3,(H,22,26)(H,23,24)