3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide Openeye Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethyl-benzamide CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethylbenzamide Traditional Name: N,N-dimethyl-3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-18-11-8-15(9-12-18)10-13-19(25)23-21(28)22-17-7-5-6-16(14-17)20(26)24(2)3/h5-14H,4H2,1-3H3,(H2,22,23,25,28)/b13-10+