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

Systemtic Name: 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-hydroxypropyl)-2-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-hydroxypropyl)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-hydroxypropyl)-2-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-28-18-10-5-2-7-15(18)11-12-19(26)24-21(29)23-17-9-4-3-8-16(17)20(27)22-13-6-14-25/h2-5,7-12,25H,6,13-14H2,1H3,(H,22,27)(H2,23,24,26,29)/b12-11+