N-(furan-2-ylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-(2-furylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-(2-furanylmethyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-(2-furfuryl)-2-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21N3O3S/c26-20(13-12-16-7-2-1-3-8-16)25-22(29)24-19-11-5-4-10-18(19)21(27)23-15-17-9-6-14-28-17/h1-11,14H,12-13,15H2,(H,23,27)(H2,24,25,26,29)