3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide CAS Name: 3-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethylbenzamide Traditional Name: 3-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-N,N-diethyl-benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-5-26(6-2)22(28)17-8-7-9-18(15-17)24-23(31)25-21(27)13-11-16-10-12-19(29-3)20(14-16)30-4/h7-15H,5-6H2,1-4H3,(H2,24,25,27,31)/b13-11+