3-butyl-1-(furan-2-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CO1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CO1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C21H25N3O3S/c1-3-4-9-22-21(28)24(14-18-6-5-10-27-18)13-16-11-15-12-17(26-2)7-8-19(15)23-20(16)25/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,22,28)(H,23,25)