1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-(2-furfuryl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O2S/c1-17-11-20-13-21(24(29)27-23(20)12-18(17)2)15-28(16-22-9-6-10-30-22)25(31)26-14-19-7-4-3-5-8-19/h3-13H,14-16H2,1-2H3,(H,26,31)(H,27,29)