1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethyl-thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)-3-phenethyl-thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenethylthiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethylthiourea Traditional Name: 1-(2-furfuryl)-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O2S/c1-18-10-11-21-15-22(25(30)28-24(21)19(18)2)16-29(17-23-9-6-14-31-23)26(32)27-13-12-20-7-4-3-5-8-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,32)(H,28,30)