1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenethyl-thiourea Openeye Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-17-7-5-10-19-15-20(22(28)25-21(17)19)16-26(13-6-14-27)23(29)24-12-11-18-8-3-2-4-9-18/h2-5,7-10,15,27H,6,11-14,16H2,1H3,(H,24,29)(H,25,28)