1-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]-1-methyl-3-phenyl-thiourea

Systemtic Name: 1-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]-1-methyl-3-phenyl-thiourea Openeye Name: 1-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]-1-methyl-3-phenyl-thiourea CAS Name: 1-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-1-methyl-3-phenylthiourea IUPAC Name: 1-[(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)amino]-1-methyl-3-phenylthiourea Traditional Name: 1-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]-1-methyl-3-phenyl-thiourea Formula: C15H20N8OS2 MolecularWeight: 392.5023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC=CC=C1)NC(=S)N2C(=NC(=N2)N3CCOCC3)N

Isomeric SMILES

CN(C(=S)NC1=CC=CC=C1)NC(=S)N2C(=NC(=N2)N3CCOCC3)N

InChI

InChI=1S/C15H20N8OS2/c1-21(14(25)17-11-5-3-2-4-6-11)20-15(26)23-12(16)18-13(19-23)22-7-9-24-10-8-22/h2-6H,7-10H2,1H3,(H,17,25)(H,20,26)(H2,16,18,19)