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

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(3-oxidanylpropyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)-1-(3-hydroxypropyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)-1-(3-hydroxypropyl)thiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(3-hydroxypropyl)thiourea Traditional Name: 3-(2-furfuryl)-1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CO3)C

InChI

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