1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-ethyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

Isomeric SMILES

CCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

InChI

InChI=1S/C21H24N4OS/c1-4-23-21(27)25(12-16-6-5-9-22-11-16)13-18-10-17-8-7-14(2)15(3)19(17)24-20(18)26/h5-11H,4,12-13H2,1-3H3,(H,23,27)(H,24,26)