1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-furylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-furanylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2-furfuryl)-1-homoveratryl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)C(=S)NCC4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C27H29N3O4S/c1-18-6-8-20-15-21(26(31)29-23(20)13-18)17-30(27(35)28-16-22-5-4-12-34-22)11-10-19-7-9-24(32-2)25(14-19)33-3/h4-9,12-15H,10-11,16-17H2,1-3H3,(H,28,35)(H,29,31)