1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(3-hydroxypropyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(3-hydroxypropyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(3-hydroxypropyl)thiourea Traditional Name: 3-(3-ethoxypropyl)-1-(3-hydroxypropyl)-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N(CCCO)CC1=CC2=CC(=CC(=C2NC1=O)C)C

Isomeric SMILES

CCOCCCNC(=S)N(CCCO)CC1=CC2=CC(=CC(=C2NC1=O)C)C

InChI

InChI=1S/C21H31N3O3S/c1-4-27-10-5-7-22-21(28)24(8-6-9-25)14-18-13-17-12-15(2)11-16(3)19(17)23-20(18)26/h11-13,25H,4-10,14H2,1-3H3,(H,22,28)(H,23,26)