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

Systemtic Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide Openeye Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide CAS Name: N-[4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide Traditional Name: N-[4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-3-phenyl-propionamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3S/c1-32-23-15-7-20(8-16-23)10-18-25(31)29-26(33)28-22-13-11-21(12-14-22)27-24(30)17-9-19-5-3-2-4-6-19/h2-8,10-16,18H,9,17H2,1H3,(H,27,30)(H2,28,29,31,33)/b18-10+