(4-cyanophenyl)-(3-methylsulfanylpropylcarbamoyl)carbamic acid

Systemtic Name: (4-cyanophenyl)-(3-methylsulfanylpropylcarbamoyl)carbamic acid Openeye Name: (4-cyanophenyl)-(3-methylsulfanylpropylcarbamoyl)carbamic acid CAS Name: (4-cyanophenyl)-[[3-(methylthio)propylamino]-oxomethyl]carbamic acid IUPAC Name: (4-cyanophenyl)-(3-methylsulfanylpropylcarbamoyl)carbamic acid Traditional Name: (4-cyanophenyl)-[3-(methylthio)propylcarbamoyl]carbamic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)N(C1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

CSCCCNC(=O)N(C1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-20-8-2-7-15-12(17)16(13(18)19)11-5-3-10(9-14)4-6-11/h3-6H,2,7-8H2,1H3,(H,15,17)(H,18,19)