2-[4-(isothiocyanatomethyl)-2-oxidanylidene-pyrrolidin-1-yl]butanamide

Systemtic Name: 2-[4-(isothiocyanatomethyl)-2-oxidanylidene-pyrrolidin-1-yl]butanamide Openeye Name: 2-[4-(isothiocyanatomethyl)-2-oxo-pyrrolidin-1-yl]butanamide CAS Name: 2-[4-(isothiocyanatomethyl)-2-oxo-1-pyrrolidinyl]butanamide IUPAC Name: 2-[4-(isothiocyanatomethyl)-2-oxopyrrolidin-1-yl]butanamide Traditional Name: 2-[4-(isothiocyanatomethyl)-2-keto-pyrrolidino]butyramide Formula: C10H15N3O2S MolecularWeight: 241.31

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CC(CC1=O)CN=C=S

Isomeric SMILES

CCC(C(=O)N)N1CC(CC1=O)CN=C=S

InChI

InChI=1S/C10H15N3O2S/c1-2-8(10(11)15)13-5-7(3-9(13)14)4-12-6-16/h7-8H,2-5H2,1H3,(H2,11,15)