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

Systemtic Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H23N3O3S/c1-17-5-3-4-6-22(17)24(30)26-19-10-12-20(13-11-19)27-25(32)28-23(29)16-9-18-7-14-21(31-2)15-8-18/h3-16H,1-2H3,(H,26,30)(H2,27,28,29,32)/b16-9+