3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-1-methyl-1-(phenylmethyl)thiourea

Systemtic Name: 3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-1-methyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-1-methyl-thiourea CAS Name: 3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methylthiourea Traditional Name: 1-benzyl-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-1-methyl-thiourea Formula: C25H31N5S MolecularWeight: 433.61214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(C)CC4=CC=CC=C4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N(C)CC4=CC=CC=C4)C(=C2)C

InChI

InChI=1S/C25H31N5S/c1-4-29-12-14-30(15-13-29)24-16-19(2)22-17-21(10-11-23(22)27-24)26-25(31)28(3)18-20-8-6-5-7-9-20/h5-11,16-17H,4,12-15,18H2,1-3H3,(H,26,31)