[2-(butylcarbamothioylamino)phenyl]carbamothioylcarbamic acid

Systemtic Name: [2-(butylcarbamothioylamino)phenyl]carbamothioylcarbamic acid Openeye Name: [2-(butylcarbamothioylamino)phenyl]carbamothioylcarbamic acid CAS Name: [[2-[[butylamino(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]carbamic acid IUPAC Name: [2-(butylcarbamothioylamino)phenyl]carbamothioylcarbamic acid Traditional Name: [2-(butylthiocarbamoylamino)phenyl]thiocarbamoylcarbamic acid Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC=C1NC(=S)NC(=O)O

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC=C1NC(=S)NC(=O)O

InChI

InChI=1S/C13H18N4O2S2/c1-2-3-8-14-11(20)15-9-6-4-5-7-10(9)16-12(21)17-13(18)19/h4-7H,2-3,8H2,1H3,(H,18,19)(H2,14,15,20)(H2,16,17,21)