N-(2-hydroxyethyl)-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(2-hydroxyethyl)-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-hydroxyethyl)-2-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=CC(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCO

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCO

InChI

InChI=1S/C23H21N3O3S/c27-15-14-24-22(29)19-10-3-4-11-20(19)25-23(30)26-21(28)13-12-17-8-5-7-16-6-1-2-9-18(16)17/h1-13,27H,14-15H2,(H,24,29)(H2,25,26,28,30)/b13-12+