1-[[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-[[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridin-3-yl]carbonylamino]thiourea Openeye Name: [[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carbonyl]amino]thiourea CAS Name: [[[5-[(carbamothioylhydrazo)-oxomethyl]-2,6-dimethyl-3-pyridinyl]-oxomethyl]amino]thiourea IUPAC Name: [[5-[(carbamothioylamino)carbamoyl]-2,6-dimethylpyridine-3-carbonyl]amino]thiourea Traditional Name: [[2,6-dimethyl-5-(thioureidocarbamoyl)nicotinoyl]amino]thiourea Formula: C11H15N7O2S2 MolecularWeight: 341.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C)C(=O)NNC(=S)N)C(=O)NNC(=S)N

Isomeric SMILES

CC1=C(C=C(C(=N1)C)C(=O)NNC(=S)N)C(=O)NNC(=S)N

InChI

InChI=1S/C11H15N7O2S2/c1-4-6(8(19)15-17-10(12)21)3-7(5(2)14-4)9(20)16-18-11(13)22/h3H,1-2H3,(H,15,19)(H,16,20)(H3,12,17,21)(H3,13,18,22)