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

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenethyl-thiourea Openeye Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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