3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea IUPAC Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea Traditional Name: 3-butyl-1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-4-5-7-21-20(26)23(8-6-9-24)13-17-12-16-10-14(2)15(3)11-18(16)22-19(17)25/h10-12,24H,4-9,13H2,1-3H3,(H,21,26)(H,22,25)