5-phenyl-4-(pyridin-3-ylcarbamoylamino)pentanethioate

Systemtic Name: 5-phenyl-4-(pyridin-3-ylcarbamoylamino)pentanethioate Openeye Name: 5-phenyl-4-(3-pyridylcarbamoylamino)pentanethioate CAS Name: 4-[[oxo-(3-pyridinylamino)methyl]amino]-5-phenylpentanethioate IUPAC Name: 5-phenyl-4-(pyridin-3-ylcarbamoylamino)pentanethioate Traditional Name: 5-phenyl-4-(3-pyridylcarbamoylamino)thiovalerate Formula: C17H18N3O2S- MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCC(=S)[O-])NC(=O)NC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CCC(=S)[O-])NC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C17H19N3O2S/c21-16(23)9-8-14(11-13-5-2-1-3-6-13)19-17(22)20-15-7-4-10-18-12-15/h1-7,10,12,14H,8-9,11H2,(H,21,23)(H2,19,20,22)/p-1