N-(3-methoxypropyl)-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3-methoxypropyl)-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H25N3O3S/c1-31-17-5-16-26-24(30)20-10-13-21(14-11-20)27-25(32)28-23(29)15-12-19-8-4-7-18-6-2-3-9-22(18)19/h2-4,6-15H,5,16-17H2,1H3,(H,26,30)(H2,27,28,29,32)/b15-12+