N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-4-5-20(28)24-18-11-9-17(10-12-18)22(30)26-27-23(32)25-21(29)15-8-16-6-13-19(31-2)14-7-16/h6-15H,3-5H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,32)/b15-8+