3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide Openeye Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide CAS Name: 3-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethylbenzamide Traditional Name: 3-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]-N,N-dimethyl-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C20H21N3O3S/c1-23(2)19(25)15-8-6-9-16(13-15)21-20(27)22-18(24)12-11-14-7-4-5-10-17(14)26-3/h4-13H,1-3H3,(H2,21,22,24,27)/b12-11+