1-[2-methoxy-5-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-3-(4-nitrophenyl)sulfanyl-urea

Systemtic Name: 1-[2-methoxy-5-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-3-(4-nitrophenyl)sulfanyl-urea Openeye Name: 1-[2-methoxy-5-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-3-(4-nitrophenyl)sulfanyl-urea CAS Name: 1-[2-methoxy-5-[[[[(4-nitrophenyl)thio]amino]-oxomethyl]amino]phenyl]-3-[(4-nitrophenyl)thio]urea IUPAC Name: 1-[2-methoxy-5-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-3-(4-nitrophenyl)sulfanylurea Traditional Name: 1-[2-methoxy-5-[[(4-nitrophenyl)thio]carbamoylamino]phenyl]-3-[(4-nitrophenyl)thio]urea Formula: C21H18N6O7S2 MolecularWeight: 530.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NSC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NSC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O7S2/c1-34-19-11-2-13(22-20(28)24-35-16-7-3-14(4-8-16)26(30)31)12-18(19)23-21(29)25-36-17-9-5-15(6-10-17)27(32)33/h2-12H,1H3,(H2,22,24,28)(H2,23,25,29)