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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-hydroxyethyl)benzamide IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-hydroxyethyl)benzamide Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-N-(2-hydroxyethyl)benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)OC

InChI

InChI=1S/C21H23N3O5S/c1-28-17-9-7-14(13-18(17)29-2)8-10-19(26)24-21(30)23-16-6-4-3-5-15(16)20(27)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,27)(H2,23,24,26,30)/b10-8+