1-(2-hydroxyethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(2-hydroxyethyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16-7-8-20-18(13-16)14-19(21(27)24-20)15-25(11-12-26)22(28)23-10-9-17-5-3-2-4-6-17/h2-8,13-14,26H,9-12,15H2,1H3,(H,23,28)(H,24,27)