N-[4-[[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H22N4O4S/c1-29-17-10-2-13(3-11-17)12-18(26)23-21(30)25-24-20(28)15-6-8-16(9-7-15)22-19(27)14-4-5-14/h2-3,6-11,14H,4-5,12H2,1H3,(H,22,27)(H,24,28)(H2,23,25,26,30)