1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-5,8-dimethyl-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:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

InChI

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