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

Systemtic Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclopentyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

InChI

InChI=1S/C22H31N3O2S/c1-4-27-19-9-10-20-16(12-19)11-17(21(26)24-20)14-25(18-7-5-6-8-18)22(28)23-13-15(2)3/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,23,28)(H,24,26)