1-ethyl-3-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]thiourea

Systemtic Name: 1-ethyl-3-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]thiourea Openeye Name: 1-ethyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]thiourea CAS Name: 1-ethyl-3-[(E)-[3-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-indolizinyl]methylideneamino]thiourea IUPAC Name: 1-ethyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea Traditional Name: 1-ethyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]thiourea Formula: C20H19FN4OS MolecularWeight: 382.454463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C2C=CC=CN2C(=C1C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=S)N/N=C/C1=C2C=CC=CN2C(=C1C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4OS/c1-3-22-20(27)24-23-12-16-13(2)18(25-11-5-4-6-17(16)25)19(26)14-7-9-15(21)10-8-14/h4-12H,3H2,1-2H3,(H2,22,24,27)/b23-12+