N-[1-[N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidoyl]pyrrolidin-3-yl]-N-ethyl-ethanamide

Systemtic Name: N-[1-[N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidoyl]pyrrolidin-3-yl]-N-ethyl-ethanamide Openeye Name: N-[1-[N-cyano-N'-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamimidoyl]pyrrolidin-3-yl]-N-ethyl-acetamide CAS Name: N-[1-[(cyanoamino)-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)imino]methyl]-3-pyrrolidinyl]-N-ethylacetamide IUPAC Name: N-[1-[N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidoyl]pyrrolidin-3-yl]-N-ethylacetamide Traditional Name: N-[1-[N-cyano-N'-(2-thioxo-3H-1,3-benzothiazol-6-yl)amidino]pyrrolidin-3-yl]-N-ethyl-acetamide Formula: C17H20N6OS2 MolecularWeight: 388.5103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)C(=NC2=CC3=C(C=C2)NC(=S)S3)NC#N)C(=O)C

Isomeric SMILES

CCN(C1CCN(C1)C(=NC2=CC3=C(C=C2)NC(=S)S3)NC#N)C(=O)C

InChI

InChI=1S/C17H20N6OS2/c1-3-23(11(2)24)13-6-7-22(9-13)16(19-10-18)20-12-4-5-14-15(8-12)26-17(25)21-14/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,19,20)(H,21,25)