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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3OC

InChI

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