4-methoxy-N-(pyrrolidin-1-ylmethylidene)benzenecarbothioamide

Systemtic Name: 4-methoxy-N-(pyrrolidin-1-ylmethylidene)benzenecarbothioamide Openeye Name: 4-methoxy-N-(pyrrolidin-1-ylmethylene)benzenecarbothioamide CAS Name: 4-methoxy-N-(1-pyrrolidinylmethylidene)benzenecarbothioamide IUPAC Name: 4-methoxy-N-(pyrrolidin-1-ylmethylidene)benzenecarbothioamide Traditional Name: 4-methoxy-N-(pyrrolidinomethylene)thiobenzamide Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)N=CN2CCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)N=CN2CCCC2

InChI

InChI=1S/C13H16N2OS/c1-16-12-6-4-11(5-7-12)13(17)14-10-15-8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3