S-[2-[[2-[azanyl(pyrimidin-2-ylcarbonyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-[azanyl(pyrimidin-2-ylcarbonyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-[amino(pyrimidine-2-carbonyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-[amino-[oxo(2-pyrimidinyl)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[2-[amino(pyrimidine-2-carbonyl)amino]-2-oxoethyl]amino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-[amino(pyrimidine-2-carbonyl)amino]-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)N(C(=O)C2=NC=CC=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)N(C(=O)C2=NC=CC=N2)N

InChI

InChI=1S/C16H15N5O4S/c17-21(15(24)14-18-7-4-8-19-14)13(23)9-20-12(22)10-26-16(25)11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,20,22)