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

Systemtic Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-4-8-20(26)23-17-6-5-7-18(15-17)24-22(29)25-21(27)14-11-16-9-12-19(28-2)13-10-16/h5-7,9-15H,3-4,8H2,1-2H3,(H,23,26)(H2,24,25,27,29)/b14-11+