3-(phenylcarbamoylamino)butan-2-ylcarbamodithioic acid

Systemtic Name: 3-(phenylcarbamoylamino)butan-2-ylcarbamodithioic acid Openeye Name: [1-methyl-2-(phenylcarbamoylamino)propyl]carbamodithioic acid CAS Name: 3-[[anilino(oxo)methyl]amino]butan-2-ylcarbamodithioic acid IUPAC Name: 3-(phenylcarbamoylamino)butan-2-ylcarbamodithioic acid Traditional Name: [1-methyl-2-(phenylcarbamoylamino)propyl]carbamodithioic acid Formula: C12H17N3OS2 MolecularWeight: 283.41288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)NC(=S)S)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C(C)NC(=S)S)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H17N3OS2/c1-8(9(2)14-12(17)18)13-11(16)15-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,15,16)(H2,14,17,18)