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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(3-pyridylmethyl)thiourea Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-4-17-7-8-21-19(10-17)11-20(22(28)26-21)15-27(23(29)25-12-16(2)3)14-18-6-5-9-24-13-18/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,25,29)(H,26,28)