4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C25H31N3O3S/c1-4-17-28(18-5-2)24(30)20-10-12-21(13-11-20)26-25(32)27-23(29)16-9-19-7-14-22(15-8-19)31-6-3/h7-16H,4-6,17-18H2,1-3H3,(H2,26,27,29,32)/b16-9+