S-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylcarbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylcarbamoylamino] benzenecarbothioate Openeye Name: S-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylcarbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methylamino]-oxomethyl]amino] ester IUPAC Name: S-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methylcarbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylcarbamoylamino] ester Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CNC(=O)NSC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CNC(=O)NSC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H21N5O4S/c1-17-22(16-27-26(33)30-36-25(32)19-11-6-3-7-12-19)23(20-13-8-14-21(15-20)31(34)35)29-24(28-17)18-9-4-2-5-10-18/h2-15H,16H2,1H3,(H2,27,30,33)