1-(furan-2-ylmethyl)-3-(3-methoxypropyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methoxypropyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methoxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-(2-furfuryl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCCOC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCCOC

InChI

InChI=1S/C21H25N3O3S/c1-15-6-3-7-16-12-17(20(25)23-19(15)16)13-24(14-18-8-4-11-27-18)21(28)22-9-5-10-26-2/h3-4,6-8,11-12H,5,9-10,13-14H2,1-2H3,(H,22,28)(H,23,25)