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

Systemtic Name: 1-cyclopentyl-3-(furan-2-ylmethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-(2-furylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-(2-furanylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-(2-furfuryl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C22H25N3O2S/c1-15-8-9-20-16(11-15)12-17(21(26)24-20)14-25(18-5-2-3-6-18)22(28)23-13-19-7-4-10-27-19/h4,7-12,18H,2-3,5-6,13-14H2,1H3,(H,23,28)(H,24,26)