1-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioyl-methyl-amino]-3-butyl-thiourea

Systemtic Name: 1-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioyl-methyl-amino]-3-butyl-thiourea Openeye Name: 1-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)-methyl-amino]-3-butyl-thiourea CAS Name: 1-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]-methylamino]-3-butylthiourea IUPAC Name: 1-[(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)-methylamino]-3-butylthiourea Traditional Name: 1-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)-methyl-amino]-3-butyl-thiourea Formula: C13H24N8OS2 MolecularWeight: 372.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN(C)C(=S)N1C(=NC(=N1)N2CCOCC2)N

Isomeric SMILES

CCCCNC(=S)NN(C)C(=S)N1C(=NC(=N1)N2CCOCC2)N

InChI

InChI=1S/C13H24N8OS2/c1-3-4-5-15-12(23)18-19(2)13(24)21-10(14)16-11(17-21)20-6-8-22-9-7-20/h3-9H2,1-2H3,(H2,14,16,17)(H2,15,18,23)