sodium N-[3-(phenylcarbamoylamino)butan-2-yl]carbamodithioate

Systemtic Name: sodium N-[3-(phenylcarbamoylamino)butan-2-yl]carbamodithioate Openeye Name: sodium N-[1-methyl-2-(phenylcarbamoylamino)propyl]carbamodithioate CAS Name: sodium N-[3-[[anilino(oxo)methyl]amino]butan-2-yl]carbamodithioate IUPAC Name: sodium N-[3-(phenylcarbamoylamino)butan-2-yl]carbamodithioate Traditional Name: sodium N-[1-methyl-2-(phenylcarbamoylamino)propyl]carbamodithioate Formula: C12H16N3NaOS2 MolecularWeight: 305.39471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)NC(=S)[S-])NC(=O)NC1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(C(C)NC(=S)[S-])NC(=O)NC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C12H17N3OS2.Na/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);/q;+1/p-1