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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(2-furfuryl)thiourea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CO4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C25H25N3O2S/c1-2-18-10-11-23-20(13-18)14-21(24(29)27-23)17-28(16-19-7-4-3-5-8-19)25(31)26-15-22-9-6-12-30-22/h3-14H,2,15-17H2,1H3,(H,26,31)(H,27,29)