1-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]thiourea Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)NC(=S)NNC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H16N6O2S/c1-8(2)14-13(22)17-16-11(20)7-19-12(21)9-5-3-4-6-10(9)15-18-19/h3-6,8H,7H2,1-2H3,(H,16,20)(H2,14,17,22)