N-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-methoxy-6-methyl-pyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N5O5S/c1-10-9-15(27-2)20-17(19-10)22-18(29)21-16(24)14-8-7-13(28-14)11-3-5-12(6-4-11)23(25)26/h3-9H,1-2H3,(H2,19,20,21,22,24,29)