1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C25H25N3OS2 MolecularWeight: 447.6155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS2/c1-2-18-10-11-23-20(13-18)14-21(24(29)27-23)16-28(17-22-9-6-12-31-22)25(30)26-15-19-7-4-3-5-8-19/h3-14H,2,15-17H2,1H3,(H,26,30)(H,27,29)