1-[[6-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[[6-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-(4-isopropoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[[6-methyl-2-(4-propan-2-yloxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-(4-isopropoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]-3-phenethyl-thiourea Formula: C29H30N4O2S MolecularWeight: 498.6391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NNC(=S)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NNC(=S)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C29H30N4O2S/c1-19(2)35-23-12-10-22(11-13-23)27-18-25(24-17-20(3)9-14-26(24)31-27)28(34)32-33-29(36)30-16-15-21-7-5-4-6-8-21/h4-14,17-19H,15-16H2,1-3H3,(H,32,34)(H2,30,33,36)