1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(2-furfuryl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CO4)C

InChI

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