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

Systemtic Name: N-(2-diethylaminoethyl)-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S/c1-3-31(4-2)19-18-28-26(33)22-12-15-23(16-13-22)29-27(34)30-25(32)17-14-21-10-7-9-20-8-5-6-11-24(20)21/h5-17H,3-4,18-19H2,1-2H3,(H,28,33)(H2,29,30,32,34)/b17-14+