3-(carbamothioylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3-(carbamothioylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-(carbamothioylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-(carbamothioylamino)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-(carbamothioylamino)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-thioureido-benzamide Formula: C20H17N7OS2 MolecularWeight: 435.52528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=S)N)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=S)N)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H17N7OS2/c21-20(29)26-15-6-2-4-13(8-15)18(28)25-14-5-1-3-12(7-14)10-30-19-16-9-24-27-17(16)22-11-23-19/h1-9,11H,10H2,(H,25,28)(H3,21,26,29)(H,22,23,24,27)