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

Systemtic Name: N-[4-[[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26N4O4S/c1-3-4-5-19(27)23-17-10-8-16(9-11-17)21(29)25-26-22(31)24-20(28)14-15-6-12-18(30-2)13-7-15/h6-13H,3-5,14H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)