3-(4-methoxyphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-(4-methoxyphenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-15-5-3-6-16-13-17(21(27)24-20(15)16)14-25(11-4-12-26)22(29)23-18-7-9-19(28-2)10-8-18/h3,5-10,13,26H,4,11-12,14H2,1-2H3,(H,23,29)(H,24,27)