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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3S/c1-31-22-10-6-5-9-19(22)13-16-23(29)28-25(32)27-21-14-11-20(12-15-21)24(30)26-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,26,30)(H2,27,28,29,32)/b16-13+