4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-propyl-benzamide

Systemtic Name: 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-propyl-benzamide CAS Name: 4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-N-propyl-benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O2S/c1-2-14-21-19(25)16-9-11-17(12-10-16)22-20(26)23-18(24)13-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,21,25)(H2,22,23,24,26)/b13-8+