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

Systemtic Name: 3-butyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 3-butyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-butyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-butyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-butyl-1-cyclopentyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C3CCCC3

Isomeric SMILES

CCCCNC(=S)N(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C3CCCC3

InChI

InChI=1S/C22H31N3O3S/c1-4-5-10-23-22(29)25(17-8-6-7-9-17)14-16-11-15-12-19(27-2)20(28-3)13-18(15)24-21(16)26/h11-13,17H,4-10,14H2,1-3H3,(H,23,29)(H,24,26)