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

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-(3-hydroxypropyl)-3-isobutyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-(3-hydroxypropyl)-3-isobutyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC(C)C

InChI

InChI=1S/C19H27N3O2S/c1-13(2)11-20-19(25)22(7-4-8-23)12-16-10-15-9-14(3)5-6-17(15)21-18(16)24/h5-6,9-10,13,23H,4,7-8,11-12H2,1-3H3,(H,20,25)(H,21,24)