1-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2

InChI

InChI=1S/C14H15N5O2S2/c20-11-6-10(16-14(23)17-11)7-12(21)18-19-13(22)15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,18,21)(H2,15,19,22)(H2,16,17,20,23)